 Entering Gaussian System, Link 0=g16
 Input=24_bromohexahelicene_STD_wB97XD-def2SVPDr.in
 Output=24_bromohexahelicene_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/24_bromohexahelicene_STD/Gau-34232.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/24_bromohexahelicene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     34233.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                24-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=120GB
 %chk=24_bromohexahelicene_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sat Jul 24 17:01:22 2021, MaxMem= 16106127360 cpu:               1.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "24_bromohexahelicene_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  H                                                -0.652976000000      0.269100000000      2.131879000000
  C                                                 0.077118000000     -0.515898000000      2.016272000000
  C                                                 1.147355000000     -0.563978000000      2.876118000000
  H                                                 1.246861000000      0.187890000000      3.648057000000
  C                                                 2.106939000000     -1.581823000000      2.761904000000
  H                                                 2.960929000000     -1.600767000000      3.426187000000
  C                                                 1.931710000000     -2.571919000000      1.827980000000
  H                                                 2.635140000000     -3.392515000000      1.758710000000
  C                                                 0.821522000000     -2.563238000000      0.958527000000
  C                                                 0.572868000000     -3.662981000000      0.087518000000
  C                                                -0.095253000000     -1.476611000000      0.997501000000
  C                                                -1.192690000000     -1.441893000000      0.051784000000
  C                                                -1.506727000000     -2.642536000000     -0.624596000000
  C                                                -0.579615000000     -3.726610000000     -0.622566000000
  C                                                -2.035643000000     -0.291576000000     -0.177518000000
  C                                                -3.356973000000     -0.534957000000     -0.639268000000
  C                                                -3.692510000000     -1.798848000000     -1.190783000000
  C                                                -2.761886000000     -2.786096000000     -1.271742000000
  C                                                -1.648813000000      1.086948000000      0.014540000000
  C                                                -2.666637000000      2.048502000000      0.208501000000
  C                                                -4.021272000000      1.709542000000     -0.047099000000
  C                                                -4.337685000000      0.487361000000     -0.549941000000
  C                                                -0.287114000000      1.573400000000     -0.077792000000
  C                                                -2.332234000000      3.372974000000      0.618459000000
  C                                                -1.040913000000      3.763875000000      0.750029000000
  C                                                 0.014713000000      2.893138000000      0.356628000000
  C                                                 1.350986000000      3.343894000000      0.332494000000
  C                                                 2.364583000000      2.558938000000     -0.156390000000
  C                                                 2.037889000000      1.298263000000     -0.674090000000
  C                                                 0.755945000000      0.815557000000     -0.650086000000
  H                                                 1.288903000000     -4.474696000000      0.057484000000
  H                                                -0.817831000000     -4.602750000000     -1.212841000000
  H                                                -4.691768000000     -1.942773000000     -1.582177000000
  H                                                -2.987639000000     -3.723712000000     -1.763936000000
  H                                                -4.781726000000      2.467364000000      0.093003000000
  H                                                -5.350606000000      0.258294000000     -0.856644000000
  H                                                -3.141496000000      4.061419000000      0.827867000000
  H                                                -0.794276000000      4.761695000000      1.090549000000
  H                                                 1.568632000000      4.342013000000      0.692153000000
  H                                                 3.386563000000      2.908506000000     -0.172645000000
  Br                                                3.423691000000      0.224870000000     -1.431958000000
  H                                                 0.548148000000     -0.150081000000     -1.077456000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     42 NQM=       42 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=           1          12          12           1          12           1          12           1          12          12
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000  12.0000000
 NucSpn=           1           0           0           1           0           1           0           1           0           0
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42
 IAtWgt=          79           1
 AtmWgt=  78.9183361   1.0078250
 NucSpn=           3           1
 AtZEff=  24.5000000   1.0000000
 NQMom=   31.3000000   0.0000000
 NMagM=    2.1063990   2.7928460
 AtZNuc=  35.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sat Jul 24 17:01:23 2021, MaxMem= 16106127360 cpu:               3.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -0.652976    0.269100    2.131879
      2          6           0        0.077118   -0.515898    2.016272
      3          6           0        1.147355   -0.563978    2.876118
      4          1           0        1.246861    0.187890    3.648057
      5          6           0        2.106939   -1.581823    2.761904
      6          1           0        2.960929   -1.600767    3.426187
      7          6           0        1.931710   -2.571919    1.827980
      8          1           0        2.635140   -3.392515    1.758710
      9          6           0        0.821522   -2.563238    0.958527
     10          6           0        0.572868   -3.662981    0.087518
     11          6           0       -0.095253   -1.476611    0.997501
     12          6           0       -1.192690   -1.441893    0.051784
     13          6           0       -1.506727   -2.642536   -0.624596
     14          6           0       -0.579615   -3.726610   -0.622566
     15          6           0       -2.035643   -0.291576   -0.177518
     16          6           0       -3.356973   -0.534957   -0.639268
     17          6           0       -3.692510   -1.798848   -1.190783
     18          6           0       -2.761886   -2.786096   -1.271742
     19          6           0       -1.648813    1.086948    0.014540
     20          6           0       -2.666637    2.048502    0.208501
     21          6           0       -4.021272    1.709542   -0.047099
     22          6           0       -4.337685    0.487361   -0.549941
     23          6           0       -0.287114    1.573400   -0.077792
     24          6           0       -2.332234    3.372974    0.618459
     25          6           0       -1.040913    3.763875    0.750029
     26          6           0        0.014713    2.893138    0.356628
     27          6           0        1.350986    3.343894    0.332494
     28          6           0        2.364583    2.558938   -0.156390
     29          6           0        2.037889    1.298263   -0.674090
     30          6           0        0.755945    0.815557   -0.650086
     31          1           0        1.288903   -4.474696    0.057484
     32          1           0       -0.817831   -4.602750   -1.212841
     33          1           0       -4.691768   -1.942773   -1.582177
     34          1           0       -2.987639   -3.723712   -1.763936
     35          1           0       -4.781726    2.467364    0.093003
     36          1           0       -5.350606    0.258294   -0.856644
     37          1           0       -3.141496    4.061419    0.827867
     38          1           0       -0.794276    4.761695    1.090549
     39          1           0        1.568632    4.342013    0.692153
     40          1           0        3.386563    2.908506   -0.172645
     41         35           0        3.423691    0.224870   -1.431958
     42          1           0        0.548148   -0.150081   -1.077456
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  C    1.078250   0.000000
     3  C    2.118750   1.373701   0.000000
     4  H    2.432030   2.127519   1.082172   0.000000
     5  C    3.382304   2.410879   1.403515   2.157982   0.000000
     6  H    4.269888   3.388387   2.160222   2.487277   1.082095
     7  C    3.852836   2.775282   2.397005   3.376129   1.372301
     8  H    4.935422   3.858075   3.385665   4.279749   2.136352
     9  C    3.401917   2.421686   2.789330   3.870813   2.422321
    10  C    4.598192   3.724244   4.208342   5.287808   3.719803
    11  C    2.155313   1.410878   2.430262   3.405478   2.823798
    12  C    2.746923   2.515769   3.771393   4.641205   4.272222
    13  C    4.099350   3.742371   4.859995   5.818000   5.064788
    14  C    4.853663   4.207545   5.022495   6.074335   4.824139
    15  C    2.749444   3.053980   4.419318   5.063570   5.240794
    16  C    3.954411   4.341110   5.713821   6.332373   6.520601
    17  C    4.955326   5.112852   6.441186   7.194365   7.021712
    18  C    5.036503   4.901508   6.117574   7.008500   6.436306
    19  C    2.478647   3.091098   4.328134   4.732407   5.364329
    20  C    3.304616   4.168018   5.337393   5.532440   6.518140
    21  C    4.262421   5.099694   6.358364   6.612324   7.501903
    22  C    4.562552   5.204081   6.552012   6.992855   7.535451
    23  C    2.591853   2.980425   3.918121   4.260830   4.873479
    24  C    3.839841   4.783533   5.718755   5.668611   6.989322
    25  C    3.778023   4.601067   5.295194   5.140053   6.521741
    26  C    3.237731   3.792076   4.425196   4.435094   5.494364
    27  C    4.087543   4.399528   4.667221   4.578664   5.544023
    28  C    4.425516   4.405403   4.519995   4.620064   5.072349
    29  C    4.021616   3.791286   4.106698   4.532064   4.483940
    30  C    3.165913   3.056639   3.806630   4.371384   4.383411
    31  H    5.529702   4.580104   4.822701   5.885040   4.043734
    32  H    5.911789   5.284928   6.073979   7.130324   5.786093
    33  H    5.915948   6.142237   7.474813   8.195266   8.076122
    34  H    6.047361   5.828617   6.972245   7.907040   7.143223
    35  H    5.102544   6.017240   7.217255   7.360589   8.424527
    36  H    5.567685   6.189766   7.538776   7.988984   8.490871
    37  H    4.719625   5.720456   6.632034   6.497336   7.945612
    38  H    4.613864   5.428561   5.943146   5.623769   7.172914
    39  H    4.857672   5.251400   5.386643   5.108585   6.298053
    40  H    5.347445   5.241214   5.134896   5.155370   5.514714
    41  Br   5.414989   4.861952   4.935940   5.526890   4.752521
    42  H    3.452281   3.150689   4.020088   4.788830   4.384108
                    6          7          8          9         10
     6  H    0.000000
     7  C    2.134641   0.000000
     8  H    2.469206   1.083047   0.000000
     9  C    3.404814   1.410156   2.148768   0.000000
    10  C    4.593721   2.462940   2.668145   1.424753   0.000000
    11  C    3.905660   2.449076   3.421282   1.422235   2.460624
    12  C    5.353913   3.767454   4.622857   2.477226   2.837552
    13  C    6.119974   4.224093   4.837115   2.816613   2.423454
    14  C    5.783343   3.693946   4.014567   2.411737   1.355170
    15  C    6.298127   4.996186   5.931359   3.822884   4.270942
    16  C    7.588133   6.181156   7.058424   4.911893   5.075077
    17  C    8.100858   6.429807   7.160896   5.057698   4.827266
    18  C    7.498410   5.628853   6.219266   4.226651   3.706359
    19  C    6.333472   5.431024   6.438942   4.507496   5.244332
    20  C    7.439097   6.716829   7.753493   5.830775   6.567349
    21  C    8.471894   7.568674   8.579030   6.536099   7.070237
    22  C    8.569693   7.370144   8.306840   6.180538   6.461054
    23  C    5.736113   5.073344   6.047530   4.406223   5.309104
    24  C    7.787105   7.415249   8.470349   6.730560   7.630608
    25  C    7.208047   7.081013   8.108312   6.598825   7.628984
    26  C    6.188503   5.975500   6.952834   5.548447   6.585336
    27  C    6.050828   6.129483   7.004452   5.963762   7.054203
    28  C    5.522104   5.518224   6.257843   5.464500   6.479353
    29  C    5.105747   4.609765   5.317765   4.365338   5.228793
    30  C    5.226526   4.358696   5.200148   3.742752   4.542563
    31  H    4.733212   2.677390   2.424384   2.164254   1.082815
    32  H    6.694140   4.575024   4.713575   3.400283   2.123239
    33  H    9.152292   7.476326   8.182106   6.102173   5.784755
    34  H    8.174945   6.199071   6.643370   4.823714   4.013574
    35  H    9.359942   8.571741   9.598055   7.579741   8.139585
    36  H    9.533119   8.261322   9.161911   7.025030   7.166267
    37  H    8.720734   8.410637   9.476134   7.720665   8.602963
    38  H    7.748399   7.858543   8.871216   7.502191   8.593621
    39  H    6.688054   7.016009   7.880222   6.950656   8.089318
    40  H    5.785006   6.012833   6.633071   6.148087   7.153251
    41  Br   5.210439   4.547003   4.887499   4.501027   5.054838
    42  H    5.311196   4.027543   4.786727   3.169115   3.701114
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.449122   0.000000
    13  C    2.445984   1.413383   0.000000
    14  C    2.814555   2.459785   1.426449   0.000000
    15  C    2.559315   1.444430   2.450846   3.757332   0.000000
    16  C    3.768891   2.446264   2.804553   4.230915   1.420690
    17  C    4.222876   2.814336   2.410399   3.705301   2.458411
    18  C    3.738335   2.453768   1.419448   2.463393   2.819111
    19  C    3.154615   2.569917   3.786520   4.971864   1.444594
    20  C    4.434068   3.792089   4.903599   6.196632   2.454206
    21  C    5.162982   4.235823   5.059350   6.459715   2.822092
    22  C    4.924428   3.738327   4.220918   5.646762   2.458625
    23  C    3.239696   3.151008   4.422733   5.335957   2.558405
    24  C    5.354085   4.980223   6.197823   7.417271   3.761711
    25  C    5.330873   5.254579   6.568765   7.629166   4.277442
    26  C    4.417863   4.510349   5.824197   6.718118   3.825137
    27  C    5.076525   5.427047   6.702230   7.391305   4.994598
    28  C    4.864968   5.357628   6.500891   6.956561   5.242887
    29  C    3.878716   4.297905   5.300627   5.665980   4.400890
    30  C    2.948409   3.063638   4.132643   4.734528   3.040070
    31  H    3.433371   3.918703   3.411391   2.124491   5.348488
    32  H    3.896213   3.425027   2.159409   1.082956   4.597954
    33  H    5.291502   3.894131   3.398693   4.583964   3.428486
    34  H    4.587035   3.424234   2.158735   2.664829   3.899048
    35  H    6.191614   5.307087   6.111599   7.518982   3.902038
    36  H    5.836650   4.583028   4.821210   6.220660   3.428199
    37  H    6.322828   5.889532   7.051605   8.325886   4.602421
    38  H    6.278037   6.302561   7.633606   8.662111   5.355794
    39  H    6.059549   6.441160   7.744391   8.452581   5.934414
    40  H    5.720274   6.320277   7.413677   7.743240   6.296099
    41  Br   4.602203   5.127432   5.760458   5.682937   5.625359
    42  H    2.545406   2.444275   3.261890   3.777610   2.739687
                   16         17         18         19         20
    16  C    0.000000
    17  C    1.419216   0.000000
    18  C    2.412836   1.359145   0.000000
    19  C    2.444555   3.735950   4.230121   0.000000
    20  C    2.805269   4.220487   5.057028   1.413567   0.000000
    21  C    2.414484   3.704713   4.826651   2.453566   1.419599
    22  C    1.419475   2.460423   3.704006   2.812148   2.409315
    23  C    3.766226   4.920115   5.153176   1.448925   2.443321
    24  C    4.231299   5.645481   6.456904   2.461239   1.426225
    25  C    5.076833   6.460774   7.067632   2.841905   2.424610
    26  C    4.910388   6.176788   6.528000   2.479247   2.815136
    27  C    6.176948   7.362406   7.554209   3.767452   4.223116
    28  C    6.522389   7.533170   7.489598   4.278238   5.070194
    29  C    5.697933   6.534259   6.330641   3.756413   4.845038
    30  C    4.328984   5.188084   5.072819   2.509630   3.737833
    31  H    6.131164   5.790752   4.585532   6.289984   7.630283
    32  H    4.829407   4.015736   2.661400   5.879597   7.048223
    33  H    2.157012   1.082784   2.128851   4.581298   4.820577
    34  H    3.401389   2.128485   1.082748   5.300743   6.108355
    35  H    3.402951   4.586400   5.791470   3.424449   2.159256
    36  H    2.156634   2.663224   4.017722   3.892159   3.397509
    37  H    4.829657   6.222644   7.172233   3.425942   2.158921
    38  H    6.133042   7.526285   8.149911   3.923238   3.412501
    39  H    7.058265   8.302725   8.568559   4.626722   4.840621
    40  H    7.586201   8.562071   8.452215   5.357996   6.125856
    41  Br   6.868995   7.402291   6.881348   5.344701   6.565732
    42  H    3.948431   4.551314   4.235876   2.747605   4.101499
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.358931   0.000000
    23  C    3.736765   4.220134   0.000000
    24  C    2.462280   3.703209   2.811716   0.000000
    25  C    3.706513   4.826404   2.460017   1.355590   0.000000
    26  C    4.225289   5.054997   1.421805   2.409763   1.423831
    27  C    5.628175   6.426465   2.446703   3.694419   2.464123
    28  C    6.443024   7.026145   2.830011   4.829403   3.724362
    29  C    6.105383   6.428135   2.415970   5.007303   4.193612
    30  C    4.897408   5.105175   1.410609   4.205525   3.725802
    31  H    8.151914   7.526584   6.251527   8.661019   8.589628
    32  H    7.173982   6.223989   6.301970   8.322214   8.596688
    33  H    4.018138   2.663914   5.833320   6.218309   7.164758
    34  H    5.791043   4.585798   6.180236   7.514540   8.134723
    35  H    1.082688   2.128605   4.585835   2.663878   4.013266
    36  H    2.128054   1.082842   5.289146   4.581237   5.783074
    37  H    2.659116   4.012868   3.893322   1.082919   2.122979
    38  H    4.585126   5.789377   3.433287   2.125260   1.082787
    39  H    6.222815   7.161405   3.420793   4.020102   2.673447
    40  H    7.505285   8.103598   3.909911   5.791909   4.602774
    41  Br   7.716836   7.815741   4.174012   6.873532   6.100681
    42  H    5.039785   4.955398   2.160411   4.856402   4.602594
                   26         27         28         29         30
    26  C    0.000000
    27  C    1.410457   0.000000
    28  C    2.428326   1.372058   0.000000
    29  C    2.774752   2.381103   1.401443   0.000000
    30  C    2.424715   2.777053   2.422979   1.370023   0.000000
    31  H    7.483183   7.823671   7.118626   5.867132   5.363905
    32  H    7.703551   8.380989   7.907820   6.577792   5.670231
    33  H    7.021108   8.254071   8.490604   7.524441   6.176954
    34  H    7.569254   8.553931   8.408459   7.187762   5.988326
    35  H    4.822511   6.199663   7.151246   6.961492   5.826358
    36  H    6.099269   7.473039   8.081303   7.463559   6.135403
    37  H    3.398323   4.576312   5.791642   6.059450   5.282993
    38  H    2.164396   2.680850   4.047887   4.809415   4.583121
    39  H    2.150925   1.083036   2.129065   3.369160   3.859787
    40  H    3.413171   2.142032   1.080234   2.159456   3.395370
    41  Br   4.683997   4.139771   2.862980   1.909708   2.842025
    42  H    3.406220   3.852320   3.389186   2.116538   1.076235
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.463423   0.000000
    33  H    6.698324   4.713733   0.000000
    34  H    4.708541   2.405095   2.471606   0.000000
    35  H    9.222039   8.210006   4.718435   6.707935   0.000000
    36  H    8.204871   6.656025   2.409390   4.718386   2.470920
    37  H    9.648170   9.199551   6.652968   8.206667   2.402372
    38  H    9.524588   9.643598   8.202670   9.217432   4.707315
    39  H    8.843948   9.451613   9.157714   9.583731   6.648333
    40  H    7.678855   8.670519   9.527913   9.335361   8.184505
    41  Br   5.372307   6.429964   8.401304   7.537019   8.641942
    42  H    4.532009   4.659452   5.561044   5.073843   6.052152
                   36         37         38         39         40
    36  H    0.000000
    37  H    4.709724   0.000000
    38  H    6.695694   2.463500   0.000000
    39  H    8.182383   4.720430   2.432732   0.000000
    40  H    9.155851   6.704162   4.744405   2.471374   0.000000
    41  Br   8.793201   7.932692   6.688577   4.990387   2.964650
    42  H    5.916995   5.914428   5.534247   4.934756   4.269688
                   41         42
    41  Br   0.000000
    42  H    2.921474   0.000000
 Stoichiometry    C26H15Br
 Framework group  C1[X(C26H15Br)]
 Deg. of freedom   120
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.28D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -0.652976    0.269100    2.131879
      2          6           0        0.077118   -0.515898    2.016272
      3          6           0        1.147355   -0.563978    2.876118
      4          1           0        1.246861    0.187890    3.648057
      5          6           0        2.106939   -1.581823    2.761904
      6          1           0        2.960929   -1.600767    3.426187
      7          6           0        1.931710   -2.571919    1.827980
      8          1           0        2.635140   -3.392515    1.758710
      9          6           0        0.821522   -2.563238    0.958527
     10          6           0        0.572868   -3.662981    0.087518
     11          6           0       -0.095253   -1.476611    0.997501
     12          6           0       -1.192690   -1.441893    0.051784
     13          6           0       -1.506727   -2.642536   -0.624596
     14          6           0       -0.579615   -3.726610   -0.622566
     15          6           0       -2.035643   -0.291576   -0.177518
     16          6           0       -3.356973   -0.534958   -0.639268
     17          6           0       -3.692510   -1.798849   -1.190783
     18          6           0       -2.761886   -2.786096   -1.271742
     19          6           0       -1.648813    1.086948    0.014540
     20          6           0       -2.666637    2.048502    0.208501
     21          6           0       -4.021272    1.709541   -0.047099
     22          6           0       -4.337685    0.487360   -0.549941
     23          6           0       -0.287114    1.573400   -0.077792
     24          6           0       -2.332235    3.372974    0.618459
     25          6           0       -1.040914    3.763875    0.750029
     26          6           0        0.014712    2.893138    0.356628
     27          6           0        1.350985    3.343894    0.332494
     28          6           0        2.364583    2.558938   -0.156390
     29          6           0        2.037889    1.298263   -0.674090
     30          6           0        0.755945    0.815557   -0.650086
     31          1           0        1.288904   -4.474696    0.057484
     32          1           0       -0.817830   -4.602750   -1.212841
     33          1           0       -4.691768   -1.942774   -1.582177
     34          1           0       -2.987639   -3.723712   -1.763936
     35          1           0       -4.781726    2.467363    0.093003
     36          1           0       -5.350606    0.258293   -0.856644
     37          1           0       -3.141497    4.061418    0.827867
     38          1           0       -0.794277    4.761695    1.090549
     39          1           0        1.568631    4.342013    0.692153
     40          1           0        3.386562    2.908507   -0.172645
     41         35           0        3.423691    0.224871   -1.431958
     42          1           0        0.548148   -0.150081   -1.077456
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.2187617           0.1676240           0.1216333
 Leave Link  202 at Sat Jul 24 17:01:23 2021, MaxMem= 16106127360 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       1      4      6      8     31     32     33     34     35     36
 Centers:      37     38     39     40     42
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      5      7      9     10     11     12     13     14
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     29     30
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      41
 S 6 1.00
     Exponent=  1.1328638776D+05 Coefficients=  1.4283037779D-03
     Exponent=  1.7009626303D+04 Coefficients=  1.0950417496D-02
     Exponent=  3.8701842567D+03 Coefficients=  5.4421006604D-02
     Exponent=  1.0930357227D+03 Coefficients=  1.9047907695D-01
     Exponent=  3.5639721797D+02 Coefficients=  3.9024642737D-01
     Exponent=  1.2312539643D+02 Coefficients=  3.0814432514D-01
 S 3 1.00
     Exponent=  2.3674084007D+02 Coefficients= -1.1228065671D-01
     Exponent=  2.8468661070D+01 Coefficients=  6.4775962312D-01
     Exponent=  1.1883443722D+01 Coefficients=  4.4235575986D-01
 S 3 1.00
     Exponent=  2.1269633312D+01 Coefficients= -2.2642576323D-01
     Exponent=  3.6129226841D+00 Coefficients=  7.3823712008D-01
     Exponent=  1.6626648969D+00 Coefficients=  4.2683868694D-01
 S 1 1.00
     Exponent=  3.4823793232D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3019031394D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0966709763D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  1.5602801881D+03 Coefficients=  8.7166669072D-03
     Exponent=  3.6847859205D+02 Coefficients=  6.6243637420D-02
     Exponent=  1.1722978849D+02 Coefficients=  2.6495610385D-01
     Exponent=  4.2648909248D+01 Coefficients=  5.3839160587D-01
     Exponent=  1.6087225096D+01 Coefficients=  3.6579387888D-01
 P 3 1.00
     Exponent=  8.6352810058D+00 Coefficients=  3.4248787366D-01
     Exponent=  3.5613665502D+00 Coefficients=  5.7500678213D-01
     Exponent=  1.5292626609D+00 Coefficients=  2.4330394172D-01
 P 1 1.00
     Exponent=  5.3064294848D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5702758965D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9636841846D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  1.0485518642D+02 Coefficients=  2.2650147581D-02
     Exponent=  3.0281143688D+01 Coefficients=  1.3455483230D-01
     Exponent=  1.0651394267D+01 Coefficients=  3.6474454537D-01
     Exponent=  3.8699456233D+00 Coefficients=  4.9044587056D-01
 D 1 1.00
     Exponent=  1.3240876762D+00 Coefficients=  2.7137289040D-01
 D 1 1.00
     Exponent=  3.8900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.6543342393D-02 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   737 symmetry adapted cartesian basis functions of A   symmetry.
 There are   681 symmetry adapted basis functions of A   symmetry.
   681 basis functions,  1072 primitive gaussians,   737 cartesian basis functions
   103 alpha electrons      103 beta electrons
       nuclear repulsion energy      2775.6360966885 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   42 NActive=   42 NUniq=   42 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0396082424 Hartrees.
 Nuclear repulsion after empirical dispersion term =     2775.5964884461 Hartrees.
 Leave Link  301 at Sat Jul 24 17:01:24 2021, MaxMem= 16106127360 cpu:              11.6 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   681 RedAO= T EigKep=  3.13D-06  NBF=   681
 NBsUse=   681 1.00D-06 EigRej= -1.00D+00 NBFU=   681
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   736   736   736   736   736 MxSgAt=    42 MxSgA2=    42.
 Leave Link  302 at Sat Jul 24 17:01:26 2021, MaxMem= 16106127360 cpu:              22.6 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sat Jul 24 17:01:27 2021, MaxMem= 16106127360 cpu:               3.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "24_bromohexahelicene_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sat Jul 24 17:01:30 2021, MaxMem= 16106127360 cpu:              35.6 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 16106127360 LenX= 16105022454 LenY= 16104478548
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -3572.71870833207    
 DIIS: error= 4.20D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3572.71870833207     IErMin= 1 ErrMin= 4.20D-03
 ErrMax= 4.20D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.44D-02 BMatP= 2.44D-02
 IDIUse=3 WtCom= 9.58D-01 WtEn= 4.20D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.268 Goal=   None    Shift=    0.000
 GapD=    0.268 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.33D-02 MaxDP=4.77D-01              OVMax= 1.73D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.33D-02    CP:  1.02D+00
 E= -3572.73718176955     Delta-E=       -0.018473437486 Rises=F Damp=F
 DIIS: error= 3.72D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -3572.73718176955     IErMin= 2 ErrMin= 3.72D-04
 ErrMax= 3.72D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.82D-04 BMatP= 2.44D-02
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.72D-03
 Coeff-Com: -0.383D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.381D-01 0.104D+01
 Gap=     0.268 Goal=   None    Shift=    0.000
 RMSDP=2.04D-03 MaxDP=1.02D-01 DE=-1.85D-02 OVMax= 6.74D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.12D-03    CP:  1.04D+00  1.10D+00
 E= -3572.73794152359     Delta-E=       -0.000759754036 Rises=F Damp=F
 DIIS: error= 1.60D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -3572.73794152359     IErMin= 3 ErrMin= 1.60D-04
 ErrMax= 1.60D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.06D-05 BMatP= 3.82D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.60D-03
 Coeff-Com: -0.277D-01 0.284D+00 0.743D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.277D-01 0.284D+00 0.744D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=2.22D-04 MaxDP=1.74D-02 DE=-7.60D-04 OVMax= 1.92D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.78D-04    CP:  1.04D+00  1.10D+00  1.08D+00
 E= -3572.73804978500     Delta-E=       -0.000108261413 Rises=F Damp=F
 DIIS: error= 8.43D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -3572.73804978500     IErMin= 4 ErrMin= 8.43D-05
 ErrMax= 8.43D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.40D-06 BMatP= 9.06D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.441D-02-0.157D-01 0.183D+00 0.837D+00
 Coeff:     -0.441D-02-0.157D-01 0.183D+00 0.837D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=9.33D-05 MaxDP=5.45D-03 DE=-1.08D-04 OVMax= 1.60D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.09D-05    CP:  1.04D+00  1.10D+00  1.12D+00  9.48D-01
 E= -3572.73806621947     Delta-E=       -0.000016434463 Rises=F Damp=F
 DIIS: error= 3.20D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -3572.73806621947     IErMin= 5 ErrMin= 3.20D-05
 ErrMax= 3.20D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.08D-06 BMatP= 9.40D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.896D-03-0.357D-01-0.916D-02 0.384D+00 0.660D+00
 Coeff:      0.896D-03-0.357D-01-0.916D-02 0.384D+00 0.660D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=2.96D-05 MaxDP=1.23D-03 DE=-1.64D-05 OVMax= 6.13D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.35D-05    CP:  1.04D+00  1.10D+00  1.13D+00  9.92D-01  9.72D-01
 E= -3572.73807076722     Delta-E=       -0.000004547752 Rises=F Damp=F
 DIIS: error= 1.88D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -3572.73807076722     IErMin= 6 ErrMin= 1.88D-05
 ErrMax= 1.88D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.74D-07 BMatP= 3.08D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.996D-03-0.111D-01-0.316D-01 0.165D-01 0.204D+00 0.821D+00
 Coeff:      0.996D-03-0.111D-01-0.316D-01 0.165D-01 0.204D+00 0.821D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=1.35D-05 MaxDP=1.00D-03 DE=-4.55D-06 OVMax= 4.14D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.10D-05    CP:  1.04D+00  1.10D+00  1.14D+00  1.02D+00  9.77D-01
                    CP:  9.63D-01
 E= -3572.73807156325     Delta-E=       -0.000000796031 Rises=F Damp=F
 DIIS: error= 5.68D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -3572.73807156325     IErMin= 7 ErrMin= 5.68D-06
 ErrMax= 5.68D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.70D-08 BMatP= 2.74D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.195D-03 0.181D-02-0.649D-02-0.497D-01-0.578D-01 0.214D+00
 Coeff-Com:  0.898D+00
 Coeff:      0.195D-03 0.181D-02-0.649D-02-0.497D-01-0.578D-01 0.214D+00
 Coeff:      0.898D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=5.34D-06 MaxDP=2.04D-04 DE=-7.96D-07 OVMax= 1.73D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.58D-06    CP:  1.04D+00  1.10D+00  1.13D+00  1.03D+00  9.91D-01
                    CP:  1.10D+00  1.13D+00
 E= -3572.73807171816     Delta-E=       -0.000000154912 Rises=F Damp=F
 DIIS: error= 2.10D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -3572.73807171816     IErMin= 8 ErrMin= 2.10D-06
 ErrMax= 2.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-08 BMatP= 4.70D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.131D-03 0.329D-02 0.442D-02-0.264D-01-0.723D-01-0.792D-01
 Coeff-Com:  0.405D+00 0.766D+00
 Coeff:     -0.131D-03 0.329D-02 0.442D-02-0.264D-01-0.723D-01-0.792D-01
 Coeff:      0.405D+00 0.766D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=2.09D-06 MaxDP=7.33D-05 DE=-1.55D-07 OVMax= 7.77D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.40D-06    CP:  1.04D+00  1.10D+00  1.13D+00  1.03D+00  9.89D-01
                    CP:  1.12D+00  1.24D+00  9.32D-01
 E= -3572.73807174346     Delta-E=       -0.000000025294 Rises=F Damp=F
 DIIS: error= 4.72D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -3572.73807174346     IErMin= 9 ErrMin= 4.72D-07
 ErrMax= 4.72D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.73D-10 BMatP= 1.24D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.518D-04 0.939D-03 0.176D-02-0.596D-02-0.200D-01-0.348D-01
 Coeff-Com:  0.798D-01 0.224D+00 0.755D+00
 Coeff:     -0.518D-04 0.939D-03 0.176D-02-0.596D-02-0.200D-01-0.348D-01
 Coeff:      0.798D-01 0.224D+00 0.755D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=5.85D-07 MaxDP=5.12D-05 DE=-2.53D-08 OVMax= 1.25D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.09D-07    CP:  1.04D+00  1.10D+00  1.13D+00  1.03D+00  9.86D-01
                    CP:  1.12D+00  1.24D+00  1.01D+00  1.04D+00
 E= -3572.73807174403     Delta-E=       -0.000000000572 Rises=F Damp=F
 DIIS: error= 2.18D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -3572.73807174403     IErMin=10 ErrMin= 2.18D-07
 ErrMax= 2.18D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-10 BMatP= 4.73D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.483D-05-0.262D-03-0.912D-04 0.275D-02 0.544D-02 0.258D-03
 Coeff-Com: -0.439D-01-0.556D-01 0.314D+00 0.777D+00
 Coeff:      0.483D-05-0.262D-03-0.912D-04 0.275D-02 0.544D-02 0.258D-03
 Coeff:     -0.439D-01-0.556D-01 0.314D+00 0.777D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=2.68D-07 MaxDP=1.92D-05 DE=-5.72D-10 OVMax= 6.54D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.56D-07    CP:  1.04D+00  1.10D+00  1.13D+00  1.03D+00  9.85D-01
                    CP:  1.12D+00  1.24D+00  1.02D+00  1.15D+00  1.01D+00
 E= -3572.73807174469     Delta-E=       -0.000000000661 Rises=F Damp=F
 DIIS: error= 6.16D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -3572.73807174469     IErMin=11 ErrMin= 6.16D-08
 ErrMax= 6.16D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.32D-12 BMatP= 1.18D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.593D-05-0.162D-03-0.165D-03 0.137D-02 0.334D-02 0.306D-02
 Coeff-Com: -0.190D-01-0.351D-01 0.207D-01 0.219D+00 0.807D+00
 Coeff:      0.593D-05-0.162D-03-0.165D-03 0.137D-02 0.334D-02 0.306D-02
 Coeff:     -0.190D-01-0.351D-01 0.207D-01 0.219D+00 0.807D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=6.96D-08 MaxDP=2.50D-06 DE=-6.61D-10 OVMax= 2.55D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.15D-08    CP:  1.04D+00  1.10D+00  1.13D+00  1.03D+00  9.85D-01
                    CP:  1.12D+00  1.24D+00  1.02D+00  1.16D+00  1.08D+00
                    CP:  1.07D+00
 E= -3572.73807174487     Delta-E=       -0.000000000185 Rises=F Damp=F
 DIIS: error= 4.11D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -3572.73807174487     IErMin=12 ErrMin= 4.11D-08
 ErrMax= 4.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.94D-12 BMatP= 9.32D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.674D-06 0.653D-05-0.359D-04-0.156D-03-0.535D-04 0.970D-03
 Coeff-Com:  0.316D-02 0.112D-03-0.552D-01-0.870D-01 0.208D+00 0.930D+00
 Coeff:      0.674D-06 0.653D-05-0.359D-04-0.156D-03-0.535D-04 0.970D-03
 Coeff:      0.316D-02 0.112D-03-0.552D-01-0.870D-01 0.208D+00 0.930D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=4.65D-08 MaxDP=1.98D-06 DE=-1.85D-10 OVMax= 1.90D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.82D-08    CP:  1.04D+00  1.10D+00  1.13D+00  1.03D+00  9.85D-01
                    CP:  1.12D+00  1.24D+00  1.03D+00  1.17D+00  1.09D+00
                    CP:  1.22D+00  1.40D+00
 E= -3572.73807174468     Delta-E=        0.000000000196 Rises=F Damp=F
 DIIS: error= 1.57D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -3572.73807174487     IErMin=13 ErrMin= 1.57D-08
 ErrMax= 1.57D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.73D-13 BMatP= 1.94D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.900D-06 0.325D-04 0.202D-04-0.296D-03-0.681D-03-0.472D-03
 Coeff-Com:  0.441D-02 0.669D-02-0.175D-01-0.625D-01-0.119D+00 0.216D+00
 Coeff-Com:  0.973D+00
 Coeff:     -0.900D-06 0.325D-04 0.202D-04-0.296D-03-0.681D-03-0.472D-03
 Coeff:      0.441D-02 0.669D-02-0.175D-01-0.625D-01-0.119D+00 0.216D+00
 Coeff:      0.973D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=4.89D-08 MaxDP=1.62D-06 DE= 1.96D-10 OVMax= 1.00D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  2.74D-08    CP:  1.04D+00  1.10D+00  1.13D+00  1.03D+00  9.85D-01
                    CP:  1.12D+00  1.24D+00  1.03D+00  1.17D+00  1.10D+00
                    CP:  1.30D+00  1.77D+00  2.01D+00
 E= -3572.73807174449     Delta-E=        0.000000000187 Rises=F Damp=F
 DIIS: error= 6.63D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -3572.73807174487     IErMin=14 ErrMin= 6.63D-09
 ErrMax= 6.63D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-13 BMatP= 3.73D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.571D-06 0.152D-04 0.152D-04-0.121D-03-0.329D-03-0.369D-03
 Coeff-Com:  0.172D-02 0.330D-02-0.124D-03-0.161D-01-0.850D-01-0.309D-01
 Coeff-Com:  0.433D+00 0.695D+00
 Coeff:     -0.571D-06 0.152D-04 0.152D-04-0.121D-03-0.329D-03-0.369D-03
 Coeff:      0.172D-02 0.330D-02-0.124D-03-0.161D-01-0.850D-01-0.309D-01
 Coeff:      0.433D+00 0.695D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=5.20D-08 MaxDP=1.89D-06 DE= 1.87D-10 OVMax= 3.80D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  1.58D-08    CP:  1.04D+00  1.10D+00  1.13D+00  1.03D+00  9.85D-01
                    CP:  1.12D+00  1.24D+00  1.03D+00  1.16D+00  1.11D+00
                    CP:  1.34D+00  2.03D+00  3.00D+00  2.05D+00
 E= -3572.73807174430     Delta-E=        0.000000000188 Rises=F Damp=F
 DIIS: error= 3.62D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=12 EnMin= -3572.73807174487     IErMin=15 ErrMin= 3.62D-09
 ErrMax= 3.62D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.50D-14 BMatP= 1.02D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.101D-07-0.170D-05 0.468D-06 0.242D-04 0.327D-04-0.327D-04
 Coeff-Com: -0.402D-03-0.284D-03 0.457D-02 0.902D-02-0.119D-01-0.664D-01
 Coeff-Com: -0.515D-01 0.314D+00 0.803D+00
 Coeff:     -0.101D-07-0.170D-05 0.468D-06 0.242D-04 0.327D-04-0.327D-04
 Coeff:     -0.402D-03-0.284D-03 0.457D-02 0.902D-02-0.119D-01-0.664D-01
 Coeff:     -0.515D-01 0.314D+00 0.803D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=9.14D-08 MaxDP=3.28D-06 DE= 1.88D-10 OVMax= 1.54D-07

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  5.53D-08    CP:  1.04D+00  1.10D+00  1.13D+00  1.03D+00  9.85D-01
                    CP:  1.12D+00  1.24D+00  1.03D+00  1.16D+00  1.11D+00
                    CP:  1.42D+00  2.45D+00  3.00D+00  3.00D+00  3.00D+00
 E= -3572.73807174426     Delta-E=        0.000000000043 Rises=F Damp=F
 DIIS: error= 3.82D-09 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=12 EnMin= -3572.73807174487     IErMin=15 ErrMin= 3.62D-09
 ErrMax= 3.82D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.76D-15 BMatP= 2.50D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.304D-07-0.192D-05-0.913D-06 0.209D-04 0.417D-04 0.196D-04
 Coeff-Com: -0.334D-03-0.400D-03 0.224D-02 0.573D-02 0.731D-03-0.280D-01
 Coeff-Com: -0.644D-01 0.887D-01 0.388D+00 0.608D+00
 Coeff:      0.304D-07-0.192D-05-0.913D-06 0.209D-04 0.417D-04 0.196D-04
 Coeff:     -0.334D-03-0.400D-03 0.224D-02 0.573D-02 0.731D-03-0.280D-01
 Coeff:     -0.644D-01 0.887D-01 0.388D+00 0.608D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=7.26D-08 MaxDP=2.48D-06 DE= 4.27D-11 OVMax= 5.31D-08

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  3.03D-08    CP:  1.04D+00  1.10D+00  1.13D+00  1.03D+00  9.85D-01
                    CP:  1.12D+00  1.24D+00  1.03D+00  1.16D+00  1.11D+00
                    CP:  1.48D+00  2.79D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  2.06D+00
 E= -3572.73807174407     Delta-E=        0.000000000185 Rises=F Damp=F
 DIIS: error= 3.30D-09 at cycle  17 NSaved=  17.
 NSaved=17 IEnMin=12 EnMin= -3572.73807174487     IErMin=17 ErrMin= 3.30D-09
 ErrMax= 3.30D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.19D-15 BMatP= 7.76D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 17 BigCof=    0.00 CofMax=   10.00 Det=-2.28D-15
 Inversion failed.  Reducing to 16 matrices.
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.32D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.111D-06-0.136D-05-0.363D-05 0.312D-05 0.361D-04 0.242D-04
 Coeff-Com: -0.510D-03-0.113D-02-0.255D-03 0.939D-02 0.179D-01-0.299D-01
 Coeff-Com: -0.141D+00-0.489D-01 0.119D+01
 Coeff:     -0.111D-06-0.136D-05-0.363D-05 0.312D-05 0.361D-04 0.242D-04
 Coeff:     -0.510D-03-0.113D-02-0.255D-03 0.939D-02 0.179D-01-0.299D-01
 Coeff:     -0.141D+00-0.489D-01 0.119D+01
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=1.20D-07 MaxDP=3.96D-06 DE= 1.85D-10 OVMax= 3.22D-08

 Cycle  18  Pass 1  IDiag  1:
 RMSU=  4.83D-08    CP:  1.04D+00  1.10D+00  1.13D+00  1.03D+00  9.85D-01
                    CP:  1.12D+00  1.24D+00  1.03D+00  1.16D+00  1.12D+00
                    CP:  1.58D+00  3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  2.68D+00
 E= -3572.73807174380     Delta-E=        0.000000000274 Rises=F Damp=F
 DIIS: error= 3.15D-09 at cycle  18 NSaved=  16.
 NSaved=16 IEnMin=10 EnMin= -3572.73807174487     IErMin=16 ErrMin= 3.15D-09
 ErrMax= 3.15D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.59D-15 BMatP= 4.19D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-4.99D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.193D-05-0.636D-05-0.924D-05 0.536D-04 0.715D-04-0.336D-03
 Coeff-Com: -0.129D-02-0.381D-02 0.138D-02 0.392D-01 0.216D-01-0.132D+00
 Coeff-Com: -0.503D+00 0.181D+00 0.140D+01
 Coeff:     -0.193D-05-0.636D-05-0.924D-05 0.536D-04 0.715D-04-0.336D-03
 Coeff:     -0.129D-02-0.381D-02 0.138D-02 0.392D-01 0.216D-01-0.132D+00
 Coeff:     -0.503D+00 0.181D+00 0.140D+01
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=1.72D-07 MaxDP=5.76D-06 DE= 2.74D-10 OVMax= 3.37D-08

 Cycle  19  Pass 1  IDiag  1:
 RMSU=  8.18D-08    CP:  1.04D+00  1.10D+00  1.13D+00  1.03D+00  9.84D-01
                    CP:  1.12D+00  1.24D+00  1.03D+00  1.16D+00  1.14D+00
                    CP:  1.73D+00  3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00
 E= -3572.73807174369     Delta-E=        0.000000000114 Rises=F Damp=F
 DIIS: error= 1.59D-09 at cycle  19 NSaved=  16.
 NSaved=16 IEnMin= 9 EnMin= -3572.73807174487     IErMin=16 ErrMin= 1.59D-09
 ErrMax= 1.59D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-15 BMatP= 3.59D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-4.07D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.115D-06-0.102D-04-0.231D-04 0.266D-04 0.795D-03 0.118D-02
 Coeff-Com: -0.396D-02-0.154D-01 0.126D-02 0.792D-01 0.143D+00-0.217D+00
 Coeff-Com: -0.863D+00 0.650D+00 0.122D+01
 Coeff:     -0.115D-06-0.102D-04-0.231D-04 0.266D-04 0.795D-03 0.118D-02
 Coeff:     -0.396D-02-0.154D-01 0.126D-02 0.792D-01 0.143D+00-0.217D+00
 Coeff:     -0.863D+00 0.650D+00 0.122D+01
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=1.50D-07 MaxDP=5.67D-06 DE= 1.14D-10 OVMax= 1.62D-08

 Cycle  20  Pass 1  IDiag  1:
 RMSU=  7.65D-08    CP:  1.04D+00  1.10D+00  1.13D+00  1.03D+00  9.84D-01
                    CP:  1.11D+00  1.24D+00  1.03D+00  1.16D+00  1.15D+00
                    CP:  1.85D+00  3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  2.41D+00
 E= -3572.73807174337     Delta-E=        0.000000000314 Rises=F Damp=F
 DIIS: error= 1.45D-09 at cycle  20 NSaved=  16.
 NSaved=16 IEnMin= 8 EnMin= -3572.73807174487     IErMin=16 ErrMin= 1.45D-09
 ErrMax= 1.45D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.42D-16 BMatP= 1.17D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.17D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.122D-05-0.490D-05 0.520D-05 0.147D-03 0.230D-03-0.610D-03
 Coeff-Com: -0.255D-02-0.166D-02 0.111D-01 0.224D-01-0.333D-01-0.238D-01
 Coeff-Com:  0.225D+00 0.154D+00 0.649D+00
 Coeff:     -0.122D-05-0.490D-05 0.520D-05 0.147D-03 0.230D-03-0.610D-03
 Coeff:     -0.255D-02-0.166D-02 0.111D-01 0.224D-01-0.333D-01-0.238D-01
 Coeff:      0.225D+00 0.154D+00 0.649D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=7.86D-08 MaxDP=3.00D-06 DE= 3.14D-10 OVMax= 9.90D-09

 Cycle  21  Pass 1  IDiag  1:
 Restarting incremental Fock formation.
 E= -3572.73807174851     Delta-E=       -0.000000005137 Rises=F Damp=F
 DIIS: error= 4.96D-08 at cycle  21 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -3572.73807174851     IErMin=15 ErrMin= 1.45D-09
 ErrMax= 4.96D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-12 BMatP= 7.42D-16
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.18D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.328D-05 0.289D-05 0.103D-03 0.165D-03-0.427D-03-0.188D-02
 Coeff-Com: -0.157D-02 0.778D-02 0.146D-01-0.329D-01 0.887D-02 0.225D+00
 Coeff-Com:  0.148D+00 0.627D+00 0.497D-02
 Coeff:     -0.328D-05 0.289D-05 0.103D-03 0.165D-03-0.427D-03-0.188D-02
 Coeff:     -0.157D-02 0.778D-02 0.146D-01-0.329D-01 0.887D-02 0.225D+00
 Coeff:      0.148D+00 0.627D+00 0.497D-02
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=1.16D-08 MaxDP=5.19D-07 DE=-5.14D-09 OVMax= 1.36D-09

 Cycle  22  Pass 1  IDiag  1:
 RMSU=  1.12D-08    CP:  1.00D+00
 E= -3572.73807174864     Delta-E=       -0.000000000126 Rises=F Damp=F
 DIIS: error= 4.97D-08 at cycle  22 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -3572.73807174864     IErMin=14 ErrMin= 1.45D-09
 ErrMax= 4.97D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-12 BMatP= 7.42D-16
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-1.73D-17
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.520D-05 0.744D-04 0.109D-03-0.397D-03-0.161D-02-0.121D-02
 Coeff-Com:  0.736D-02 0.129D-01-0.358D-01 0.386D-02 0.222D+00 0.153D+00
 Coeff-Com:  0.636D+00 0.126D+00-0.122D+00
 Coeff:      0.520D-05 0.744D-04 0.109D-03-0.397D-03-0.161D-02-0.121D-02
 Coeff:      0.736D-02 0.129D-01-0.358D-01 0.386D-02 0.222D+00 0.153D+00
 Coeff:      0.636D+00 0.126D+00-0.122D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=6.31D-09 MaxDP=2.09D-07 DE=-1.26D-10 OVMax= 6.36D-10

 SCF Done:  E(RwB97XD) =  -3572.73807175     A.U. after   22 cycles
            NFock= 22  Conv=0.63D-08     -V/T= 2.0041
 KE= 3.558162246532D+03 PE=-1.401321217675D+04 EE= 4.106715370028D+03
 Leave Link  502 at Sat Jul 24 17:26:37 2021, MaxMem= 16106127360 cpu:           24080.5 elap:            1506.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   681
 NBasis=   681 NAE=   103 NBE=   103 NFC=     0 NFV=     0
 NROrb=    681 NOA=   103 NOB=   103 NVA=   578 NVB=   578

 **** Warning!!: The largest alpha MO coefficient is  0.65489805D+02

 Leave Link  801 at Sat Jul 24 17:26:38 2021, MaxMem= 16106127360 cpu:               2.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        12867 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   16106127360 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          42
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.92D-13 8.33D-09 XBig12= 1.00D+00 3.40D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.92D-13 8.33D-09 XBig12= 3.20D-01 7.08D-02.
     11 vectors produced by pass  2 Test12= 9.92D-13 8.33D-09 XBig12= 9.05D-02 6.20D-02.
     11 vectors produced by pass  3 Test12= 9.92D-13 8.33D-09 XBig12= 1.38D-02 2.17D-02.
     11 vectors produced by pass  4 Test12= 9.92D-13 8.33D-09 XBig12= 3.37D-03 1.40D-02.
     11 vectors produced by pass  5 Test12= 9.92D-13 8.33D-09 XBig12= 4.92D-04 7.21D-03.
     11 vectors produced by pass  6 Test12= 9.92D-13 8.33D-09 XBig12= 5.82D-05 2.05D-03.
     11 vectors produced by pass  7 Test12= 9.92D-13 8.33D-09 XBig12= 9.05D-06 5.13D-04.
     11 vectors produced by pass  8 Test12= 9.92D-13 8.33D-09 XBig12= 1.10D-06 1.39D-04.
     11 vectors produced by pass  9 Test12= 9.92D-13 8.33D-09 XBig12= 7.68D-08 3.58D-05.
     11 vectors produced by pass 10 Test12= 9.92D-13 8.33D-09 XBig12= 5.95D-09 1.14D-05.
     11 vectors produced by pass 11 Test12= 9.92D-13 8.33D-09 XBig12= 6.60D-10 3.06D-06.
     11 vectors produced by pass 12 Test12= 9.92D-13 8.33D-09 XBig12= 3.26D-10 1.13D-06.
      9 vectors produced by pass 13 Test12= 9.92D-13 8.33D-09 XBig12= 1.16D-10 4.58D-07.
      8 vectors produced by pass 14 Test12= 9.92D-13 8.33D-09 XBig12= 3.92D-11 3.23D-07.
      4 vectors produced by pass 15 Test12= 9.92D-13 8.33D-09 XBig12= 1.20D-11 1.53D-07.
      3 vectors produced by pass 16 Test12= 9.92D-13 8.33D-09 XBig12= 2.96D-12 6.25D-08.
      3 vectors produced by pass 17 Test12= 9.92D-13 8.33D-09 XBig12= 1.07D-12 4.67D-08.
      3 vectors produced by pass 18 Test12= 9.92D-13 8.33D-09 XBig12= 8.01D-13 3.82D-08.
      3 vectors produced by pass 19 Test12= 9.92D-13 8.33D-09 XBig12= 5.67D-13 2.51D-08.
      3 vectors produced by pass 20 Test12= 9.92D-13 8.33D-09 XBig12= 5.97D-13 2.88D-08.
      2 vectors produced by pass 21 Test12= 9.92D-13 8.33D-09 XBig12= 6.32D-13 3.75D-08.
      2 vectors produced by pass 22 Test12= 9.92D-13 8.33D-09 XBig12= 3.77D-13 2.12D-08.
      2 vectors produced by pass 23 Test12= 9.92D-13 8.33D-09 XBig12= 2.87D-13 2.10D-08.
      2 vectors produced by pass 24 Test12= 9.92D-13 8.33D-09 XBig12= 2.56D-13 2.91D-08.
      2 vectors produced by pass 25 Test12= 9.92D-13 8.33D-09 XBig12= 2.00D-13 1.62D-08.
      2 vectors produced by pass 26 Test12= 9.92D-13 8.33D-09 XBig12= 1.74D-13 1.51D-08.
      2 vectors produced by pass 27 Test12= 9.92D-13 8.33D-09 XBig12= 1.88D-13 2.14D-08.
      2 vectors produced by pass 28 Test12= 9.92D-13 8.33D-09 XBig12= 1.39D-13 1.33D-08.
      2 vectors produced by pass 29 Test12= 9.92D-13 8.33D-09 XBig12= 1.32D-13 1.91D-08.
      2 vectors produced by pass 30 Test12= 9.92D-13 8.33D-09 XBig12= 1.41D-13 1.70D-08.
      2 vectors produced by pass 31 Test12= 9.92D-13 8.33D-09 XBig12= 1.17D-13 1.75D-08.
      2 vectors produced by pass 32 Test12= 9.92D-13 8.33D-09 XBig12= 8.80D-14 1.49D-08.
      2 vectors produced by pass 33 Test12= 9.92D-13 8.33D-09 XBig12= 7.96D-14 1.27D-08.
      2 vectors produced by pass 34 Test12= 9.92D-13 8.33D-09 XBig12= 7.30D-14 1.07D-08.
      2 vectors produced by pass 35 Test12= 9.92D-13 8.33D-09 XBig12= 8.22D-14 1.26D-08.
      2 vectors produced by pass 36 Test12= 9.92D-13 8.33D-09 XBig12= 9.36D-14 1.33D-08.
      2 vectors produced by pass 37 Test12= 9.92D-13 8.33D-09 XBig12= 8.72D-14 1.27D-08.
      2 vectors produced by pass 38 Test12= 9.92D-13 8.33D-09 XBig12= 8.17D-14 1.34D-08.
      2 vectors produced by pass 39 Test12= 9.92D-13 8.33D-09 XBig12= 9.73D-14 1.26D-08.
      2 vectors produced by pass 40 Test12= 9.92D-13 8.33D-09 XBig12= 7.80D-14 1.04D-08.
      2 vectors produced by pass 41 Test12= 9.92D-13 8.33D-09 XBig12= 6.09D-14 1.38D-08.
      1 vectors produced by pass 42 Test12= 9.92D-13 8.33D-09 XBig12= 6.66D-14 1.23D-08.
      1 vectors produced by pass 43 Test12= 9.92D-13 8.33D-09 XBig12= 7.93D-14 1.33D-08.
      1 vectors produced by pass 44 Test12= 9.92D-13 8.33D-09 XBig12= 1.01D-13 1.44D-08.
      1 vectors produced by pass 45 Test12= 9.92D-13 8.33D-09 XBig12= 9.31D-14 1.40D-08.
      1 vectors produced by pass 46 Test12= 9.92D-13 8.33D-09 XBig12= 8.73D-14 1.08D-08.
      1 vectors produced by pass 47 Test12= 9.92D-13 8.33D-09 XBig12= 6.02D-14 9.79D-09.
      1 vectors produced by pass 48 Test12= 9.92D-13 8.33D-09 XBig12= 5.45D-14 1.17D-08.
      1 vectors produced by pass 49 Test12= 9.92D-13 8.33D-09 XBig12= 5.85D-14 1.30D-08.
      1 vectors produced by pass 50 Test12= 9.92D-13 8.33D-09 XBig12= 6.97D-14 1.12D-08.
      1 vectors produced by pass 51 Test12= 9.92D-13 8.33D-09 XBig12= 7.59D-14 1.21D-08.
      1 vectors produced by pass 52 Test12= 9.92D-13 8.33D-09 XBig12= 7.09D-14 1.11D-08.
      1 vectors produced by pass 53 Test12= 9.92D-13 8.33D-09 XBig12= 6.23D-14 1.00D-08.
      1 vectors produced by pass 54 Test12= 9.92D-13 8.33D-09 XBig12= 5.84D-14 9.08D-09.
      1 vectors produced by pass 55 Test12= 9.92D-13 8.33D-09 XBig12= 4.78D-14 1.02D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.28D-13
 Solved reduced A of dimension   235 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.444506D+03
      2 -0.183212D+02  0.409006D+03
      3  0.459861D+02  0.438384D+02  0.240155D+03
 Isotropic polarizability for W=    0.085645      364.56 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.665429D+03  0.469521D+02 -0.315191D+03
      2   0.229027D+03  0.132158D+02 -0.183336D+02
      3   0.436402D+03 -0.601678D+02  0.333525D+03
      4   0.111535D+03 -0.361104D+03 -0.323562D+03
      5  -0.130029D+03 -0.196958D+03  0.600320D+02
      6  -0.303341D+03  0.102035D+03 -0.175969D+03
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.198660D+03 -0.371748D+02  0.146679D+03
      2  -0.115181D+03 -0.751272D+02 -0.486376D+02
      3   0.135900D+03  0.645411D+03 -0.230206D+03
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.126604D+03  0.120368D+03  0.115801D+03
      2  -0.185162D+03 -0.202207D+02 -0.376370D+03
      3   0.645827D+02  0.590131D+03 -0.106383D+03
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.121016D+03  0.299898D+02 -0.480968D+02
      2   0.299898D+02 -0.208283D+02 -0.122473D+03
      3  -0.480968D+02 -0.122473D+03  0.351706D+02
 OR G Eigenvalues:  -135.3609  -116.0524   144.7400  Iso=    35.5578
 Eigenvectors:
   (1)   0.915377   0.156820   0.370799
   (2)  -0.345078   0.780034   0.521985
   (3)  -0.207378  -0.605768   0.768140
 w=    0.085645 a.u., Optical Rotation Beta=     35.5578 au.
 Molar Mass =    407.3085 grams/mole, [Alpha] ( 5320.0 A) =     4140.34 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  232221 ScalPx= 9.56D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  232221 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.67D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.65D-13 2.78D-09 XBig12= 1.00D+00 3.38D-01.
     30 vectors produced by pass  1 Test12= 1.65D-13 2.78D-09 XBig12= 4.97D-02 4.11D-02.
     30 vectors produced by pass  2 Test12= 1.65D-13 2.78D-09 XBig12= 5.94D-03 1.39D-02.
     30 vectors produced by pass  3 Test12= 1.65D-13 2.78D-09 XBig12= 3.79D-04 2.70D-03.
     30 vectors produced by pass  4 Test12= 1.65D-13 2.78D-09 XBig12= 1.79D-05 5.63D-04.
     30 vectors produced by pass  5 Test12= 1.65D-13 2.78D-09 XBig12= 5.30D-07 8.67D-05.
     30 vectors produced by pass  6 Test12= 1.65D-13 2.78D-09 XBig12= 2.34D-08 1.14D-05.
     30 vectors produced by pass  7 Test12= 1.65D-13 2.78D-09 XBig12= 3.48D-09 6.19D-06.
     30 vectors produced by pass  8 Test12= 1.65D-13 2.78D-09 XBig12= 1.03D-09 1.89D-06.
     30 vectors produced by pass  9 Test12= 1.65D-13 2.78D-09 XBig12= 1.85D-10 8.46D-07.
     13 vectors produced by pass 10 Test12= 1.65D-13 2.78D-09 XBig12= 3.06D-11 3.02D-07.
      3 vectors produced by pass 11 Test12= 1.65D-13 2.78D-09 XBig12= 5.22D-12 1.17D-07.
      3 vectors produced by pass 12 Test12= 1.65D-13 2.78D-09 XBig12= 1.02D-12 5.13D-08.
      3 vectors produced by pass 13 Test12= 1.65D-13 2.78D-09 XBig12= 4.51D-13 4.00D-08.
      3 vectors produced by pass 14 Test12= 1.65D-13 2.78D-09 XBig12= 2.87D-13 2.59D-08.
      3 vectors produced by pass 15 Test12= 1.65D-13 2.78D-09 XBig12= 3.49D-13 3.26D-08.
      3 vectors produced by pass 16 Test12= 1.65D-13 2.78D-09 XBig12= 1.71D-13 2.50D-08.
      3 vectors produced by pass 17 Test12= 1.65D-13 2.78D-09 XBig12= 2.14D-13 2.11D-08.
      3 vectors produced by pass 18 Test12= 1.65D-13 2.78D-09 XBig12= 1.11D-13 1.76D-08.
      3 vectors produced by pass 19 Test12= 1.65D-13 2.78D-09 XBig12= 1.73D-13 1.92D-08.
      3 vectors produced by pass 20 Test12= 1.65D-13 2.78D-09 XBig12= 1.66D-13 2.00D-08.
      3 vectors produced by pass 21 Test12= 1.65D-13 2.78D-09 XBig12= 1.79D-13 2.11D-08.
      3 vectors produced by pass 22 Test12= 1.65D-13 2.78D-09 XBig12= 9.14D-14 1.71D-08.
      3 vectors produced by pass 23 Test12= 1.65D-13 2.78D-09 XBig12= 1.19D-13 1.49D-08.
      3 vectors produced by pass 24 Test12= 1.65D-13 2.78D-09 XBig12= 1.21D-13 2.12D-08.
      3 vectors produced by pass 25 Test12= 1.65D-13 2.78D-09 XBig12= 1.16D-13 1.46D-08.
      3 vectors produced by pass 26 Test12= 1.65D-13 2.78D-09 XBig12= 1.18D-13 1.62D-08.
      3 vectors produced by pass 27 Test12= 1.65D-13 2.78D-09 XBig12= 1.10D-13 1.77D-08.
      2 vectors produced by pass 28 Test12= 1.65D-13 2.78D-09 XBig12= 1.14D-13 1.85D-08.
      2 vectors produced by pass 29 Test12= 1.65D-13 2.78D-09 XBig12= 4.58D-14 1.10D-08.
      2 vectors produced by pass 30 Test12= 1.65D-13 2.78D-09 XBig12= 3.74D-14 9.72D-09.
      2 vectors produced by pass 31 Test12= 1.65D-13 2.78D-09 XBig12= 2.17D-14 8.75D-09.
      2 vectors produced by pass 32 Test12= 1.65D-13 2.78D-09 XBig12= 1.58D-14 6.23D-09.
      2 vectors produced by pass 33 Test12= 1.65D-13 2.78D-09 XBig12= 1.39D-14 7.34D-09.
      2 vectors produced by pass 34 Test12= 1.65D-13 2.78D-09 XBig12= 1.28D-14 5.71D-09.
      2 vectors produced by pass 35 Test12= 1.65D-13 2.78D-09 XBig12= 1.43D-14 6.96D-09.
      2 vectors produced by pass 36 Test12= 1.65D-13 2.78D-09 XBig12= 1.54D-14 6.40D-09.
      2 vectors produced by pass 37 Test12= 1.65D-13 2.78D-09 XBig12= 1.20D-14 5.11D-09.
      2 vectors produced by pass 38 Test12= 1.65D-13 2.78D-09 XBig12= 9.14D-15 5.68D-09.
      2 vectors produced by pass 39 Test12= 1.65D-13 2.78D-09 XBig12= 8.19D-15 5.35D-09.
      2 vectors produced by pass 40 Test12= 1.65D-13 2.78D-09 XBig12= 6.68D-15 3.85D-09.
      2 vectors produced by pass 41 Test12= 1.65D-13 2.78D-09 XBig12= 6.99D-15 3.92D-09.
      2 vectors produced by pass 42 Test12= 1.65D-13 2.78D-09 XBig12= 6.85D-15 3.96D-09.
      2 vectors produced by pass 43 Test12= 1.65D-13 2.78D-09 XBig12= 5.16D-15 3.22D-09.
      2 vectors produced by pass 44 Test12= 1.65D-13 2.78D-09 XBig12= 5.80D-15 3.47D-09.
      2 vectors produced by pass 45 Test12= 1.65D-13 2.78D-09 XBig12= 6.99D-15 4.27D-09.
      2 vectors produced by pass 46 Test12= 1.65D-13 2.78D-09 XBig12= 7.21D-15 3.98D-09.
      2 vectors produced by pass 47 Test12= 1.65D-13 2.78D-09 XBig12= 7.61D-15 4.08D-09.
      1 vectors produced by pass 48 Test12= 1.65D-13 2.78D-09 XBig12= 9.46D-15 5.90D-09.
      1 vectors produced by pass 49 Test12= 1.65D-13 2.78D-09 XBig12= 6.13D-15 3.56D-09.
      1 vectors produced by pass 50 Test12= 1.65D-13 2.78D-09 XBig12= 6.16D-15 3.77D-09.
      1 vectors produced by pass 51 Test12= 1.65D-13 2.78D-09 XBig12= 6.03D-15 3.61D-09.
      1 vectors produced by pass 52 Test12= 1.65D-13 2.78D-09 XBig12= 4.90D-15 3.88D-09.
      1 vectors produced by pass 53 Test12= 1.65D-13 2.78D-09 XBig12= 5.93D-15 3.76D-09.
      1 vectors produced by pass 54 Test12= 1.65D-13 2.78D-09 XBig12= 5.79D-15 3.46D-09.
      1 vectors produced by pass 55 Test12= 1.65D-13 2.78D-09 XBig12= 5.49D-15 4.16D-09.
      1 vectors produced by pass 56 Test12= 1.65D-13 2.78D-09 XBig12= 6.38D-15 3.78D-09.
      1 vectors produced by pass 57 Test12= 1.65D-13 2.78D-09 XBig12= 3.77D-15 3.21D-09.
      1 vectors produced by pass 58 Test12= 1.65D-13 2.78D-09 XBig12= 4.96D-15 3.65D-09.
      1 vectors produced by pass 59 Test12= 1.65D-13 2.78D-09 XBig12= 5.34D-15 2.95D-09.
      1 vectors produced by pass 60 Test12= 1.65D-13 2.78D-09 XBig12= 4.36D-15 3.18D-09.
      1 vectors produced by pass 61 Test12= 1.65D-13 2.78D-09 XBig12= 4.40D-15 3.67D-09.
      1 vectors produced by pass 62 Test12= 1.65D-13 2.78D-09 XBig12= 4.36D-15 3.18D-09.
      1 vectors produced by pass 63 Test12= 1.65D-13 2.78D-09 XBig12= 5.83D-15 4.22D-09.
      1 vectors produced by pass 64 Test12= 1.65D-13 2.78D-09 XBig12= 6.38D-15 3.80D-09.
      1 vectors produced by pass 65 Test12= 1.65D-13 2.78D-09 XBig12= 4.10D-15 3.13D-09.
      1 vectors produced by pass 66 Test12= 1.65D-13 2.78D-09 XBig12= 3.73D-15 2.88D-09.
      1 vectors produced by pass 67 Test12= 1.65D-13 2.78D-09 XBig12= 3.56D-15 2.91D-09.
      1 vectors produced by pass 68 Test12= 1.65D-13 2.78D-09 XBig12= 3.07D-15 2.78D-09.
      1 vectors produced by pass 69 Test12= 1.65D-13 2.78D-09 XBig12= 3.69D-15 2.99D-09.
      1 vectors produced by pass 70 Test12= 1.65D-13 2.78D-09 XBig12= 4.16D-15 3.36D-09.
      1 vectors produced by pass 71 Test12= 1.65D-13 2.78D-09 XBig12= 4.22D-15 3.52D-09.
      1 vectors produced by pass 72 Test12= 1.65D-13 2.78D-09 XBig12= 3.91D-15 3.17D-09.
      1 vectors produced by pass 73 Test12= 1.65D-13 2.78D-09 XBig12= 3.44D-15 3.16D-09.
      1 vectors produced by pass 74 Test12= 1.65D-13 2.78D-09 XBig12= 3.30D-15 2.93D-09.
      1 vectors produced by pass 75 Test12= 1.65D-13 2.78D-09 XBig12= 5.01D-15 3.33D-09.
      1 vectors produced by pass 76 Test12= 1.65D-13 2.78D-09 XBig12= 4.63D-15 3.55D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   433 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  232221 ScalPx= 3.32D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  232221 ScalPx= 3.32D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  232221 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.19D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.444506D+03 -0.183212D+02  0.459861D+02
      2  -0.183212D+02  0.409006D+03  0.438384D+02
      3   0.459861D+02  0.438384D+02  0.240155D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.198660D+03 -0.371748D+02  0.146679D+03
      2  -0.115181D+03 -0.751272D+02 -0.486376D+02
      3   0.135900D+03  0.645411D+03 -0.230206D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.665429D+03  0.469521D+02 -0.315191D+03
      2   0.229027D+03  0.132158D+02 -0.183336D+02
      3   0.436402D+03 -0.601678D+02  0.333525D+03
      4   0.111535D+03 -0.361104D+03 -0.323562D+03
      5  -0.130029D+03 -0.196958D+03  0.600320D+02
      6  -0.303341D+03  0.102035D+03 -0.175969D+03
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.138105D+01  0.164114D+01 -0.326328D+00  0.710257D+00 -0.965506D+00
      2   0.164114D+01 -0.204563D+01  0.582129D+00 -0.965506D+00  0.210713D+01
      3  -0.326328D+00  0.582129D+00 -0.119123D+01 -0.447937D+00  0.106195D+00
                 6             7             8             9            10 
      1  -0.447937D+00 -0.336487D+00  0.181197D+00 -0.778012D+00 -0.417191D+01
      2   0.106195D+00  0.181197D+00 -0.211344D+00  0.960025D+00  0.192481D+00
      3   0.127367D+01 -0.778012D+00  0.960025D+00 -0.310135D-01 -0.235544D+01
                11            12            13            14            15 
      1   0.192481D+00 -0.235544D+01 -0.242619D+01 -0.444983D+00 -0.150807D+01
      2  -0.648047D+00 -0.176564D+01 -0.444983D+00  0.210195D+01 -0.181653D+01
      3  -0.176564D+01 -0.709948D+01 -0.150807D+01 -0.181653D+01 -0.184111D+01
                16            17            18            19            20 
      1  -0.326364D+01 -0.191471D+00 -0.544167D+01  0.523204D+01 -0.996149D+00
      2  -0.191471D+00 -0.430002D+01  0.671771D+00 -0.996149D+00  0.335437D+01
      3  -0.544167D+01  0.671771D+00 -0.636698D+01  0.280994D+01  0.134943D+00
                21            22            23            24            25 
      1   0.280994D+01  0.252515D+01  0.189713D+01  0.218561D+01  0.347513D+01
      2   0.134943D+00  0.189713D+01  0.383536D+00  0.586348D+00 -0.133882D+01
      3  -0.159091D+00  0.218561D+01  0.586348D+00  0.331804D+00  0.379190D+01
                26            27            28            29            30 
      1  -0.133882D+01  0.379190D+01  0.769139D+00  0.287490D+00  0.138995D+01
      2   0.925545D+00 -0.170467D+01  0.287490D+00  0.549594D-01  0.636715D-01
      3  -0.170467D+01  0.105534D+02  0.138995D+01  0.636715D-01  0.178447D+01
                31            32            33            34            35 
      1   0.300212D+00  0.813330D+00  0.114698D+01  0.139043D+01  0.114148D+01
      2   0.813330D+00  0.213279D+01  0.288566D+01  0.114148D+01  0.196552D+01
      3   0.114698D+01  0.288566D+01  0.558969D+01  0.195630D+01  0.309300D+01
                36            37            38            39            40 
      1   0.195630D+01  0.460428D+01  0.122439D+01  0.170967D+01  0.732425D+01
      2   0.309300D+01  0.122439D+01  0.192472D+01  0.128299D+01 -0.147386D+01
      3   0.618371D+01  0.170967D+01  0.128299D+01  0.232945D+01  0.195527D+01
                41            42            43            44            45 
      1  -0.147386D+01  0.195527D+01  0.436691D+01 -0.379218D+01  0.516704D+01
      2   0.240801D+01 -0.294123D+00 -0.379218D+01  0.369463D+01 -0.291573D+01
      3  -0.294123D+00 -0.167748D+01  0.516704D+01 -0.291573D+01  0.940223D+01
                46            47            48            49            50 
      1   0.796657D+01 -0.139268D+01  0.606363D+01 -0.744976D+00  0.862828D+00
      2  -0.139268D+01  0.713063D+00 -0.131508D+01  0.862828D+00 -0.273554D+00
      3   0.606363D+01 -0.131508D+01  0.574877D+01  0.115078D+00  0.685869D+00
                51            52            53            54            55 
      1   0.115078D+00  0.536044D+01 -0.314215D+00  0.469049D+01 -0.733765D+00
      2   0.685869D+00 -0.314215D+00  0.368840D+00 -0.353437D+00  0.915741D+00
      3   0.939079D+00  0.469049D+01 -0.353437D+00  0.476870D+01 -0.323479D+01
                56            57            58            59            60 
      1   0.915741D+00 -0.323479D+01 -0.499196D+01  0.789631D+00 -0.499108D+01
      2  -0.172095D+01  0.195378D+01  0.789631D+00 -0.413715D+01  0.338604D+01
      3   0.195378D+01 -0.180900D+01 -0.499108D+01  0.338604D+01 -0.582783D+01
                61            62            63            64            65 
      1  -0.958046D+01  0.184265D+01 -0.551838D+01  0.507506D+01 -0.426755D+01
      2   0.184265D+01  0.790480D+00 -0.277884D-01 -0.426755D+01  0.427712D+01
      3  -0.551838D+01 -0.277884D-01 -0.548755D+01  0.103832D+01 -0.111473D+01
                66            67            68            69            70 
      1   0.103832D+01 -0.463725D+01  0.453390D+01 -0.446338D+00  0.455453D+00
      2  -0.111473D+01  0.453390D+01 -0.545730D+01  0.679988D+00  0.313844D-01
      3   0.712029D+00 -0.446338D+00  0.679988D+00 -0.521990D+00  0.513914D+00
                71            72            73            74            75 
      1   0.313844D-01  0.513914D+00  0.123601D+02 -0.314398D+01  0.111303D+02
      2  -0.649608D+00 -0.592872D+00 -0.314398D+01  0.201075D+01 -0.153382D+01
      3  -0.592872D+00  0.106680D+00  0.111303D+02 -0.153382D+01  0.107608D+02
                76            77            78            79            80 
      1  -0.165033D+02  0.363590D+01 -0.181968D+02 -0.211070D+01 -0.520803D-01
      2   0.363590D+01 -0.676036D+01 -0.303971D+00 -0.520803D-01 -0.655242D+00
      3  -0.181968D+02 -0.303971D+00 -0.206242D+02 -0.194836D+01 -0.218334D+01
                81            82            83            84            85 
      1  -0.194836D+01  0.174865D+02 -0.103219D+02  0.950470D+01  0.767389D+01
      2  -0.218334D+01 -0.103219D+02  0.169671D+02 -0.112616D+01 -0.188558D+01
      3  -0.532009D+01  0.950470D+01 -0.112616D+01  0.112723D+02  0.577159D+01
                86            87            88            89            90 
      1  -0.188558D+01  0.577159D+01  0.104227D+02 -0.618184D+01  0.128536D+02
      2  -0.819874D+00  0.206548D+01 -0.618184D+01  0.151030D+02 -0.452481D+01
      3   0.206548D+01  0.660749D+01  0.128536D+02 -0.452481D+01  0.136600D+02
                91            92            93            94            95 
      1  -0.219135D+02  0.487886D+01 -0.182231D+02  0.984383D+01 -0.289434D+00
      2   0.487886D+01 -0.571682D+01  0.137163D+01 -0.289434D+00  0.424790D+01
      3  -0.182231D+02  0.137163D+01 -0.180919D+02  0.126236D+02  0.840797D+00
                96            97            98            99           100 
      1   0.126236D+02 -0.376582D+01  0.296356D+01 -0.331498D+01  0.107636D+02
      2   0.840797D+00  0.296356D+01 -0.895210D+00  0.274607D+01  0.170188D+01
      3   0.146474D+02 -0.331498D+01  0.274607D+01 -0.267549D+01  0.948625D+01
               101           102           103           104           105 
      1   0.170188D+01  0.948625D+01  0.261227D+02 -0.221453D+02  0.152540D+02
      2  -0.504905D+01 -0.897300D-01 -0.221453D+02  0.398947D+02 -0.907877D+01
      3  -0.897300D-01  0.847131D+01  0.152540D+02 -0.907877D+01  0.983817D+01
               106           107           108           109           110 
      1   0.187106D+02 -0.100829D+02  0.132978D+02 -0.734051D+01 -0.502294D+01
      2  -0.100829D+02  0.165487D+02 -0.398792D+01 -0.502294D+01  0.781630D+01
      3   0.132978D+02 -0.398792D+01  0.117912D+02 -0.809604D+01  0.769586D+00
               111           112           113           114           115 
      1  -0.809604D+01 -0.288924D+02  0.258530D+02 -0.176325D+02 -0.153766D+02
      2   0.769586D+00  0.258530D+02 -0.461826D+02  0.118850D+02  0.926694D+01
      3  -0.547493D+01 -0.176325D+02  0.118850D+02 -0.115547D+02 -0.115545D+02
               116           117           118           119           120 
      1   0.926694D+01 -0.115545D+02 -0.218744D+02  0.187874D+02 -0.117453D+02
      2  -0.133635D+02  0.317880D+01  0.187874D+02 -0.315910D+02  0.818476D+01
      3   0.317880D+01 -0.103291D+02 -0.117453D+02  0.818476D+01 -0.842891D+01
               121           122           123           124           125 
      1   0.629976D+01 -0.122655D+02  0.391934D+01 -0.909348D+01  0.903927D+01
      2  -0.122655D+02  0.146012D+02 -0.468795D+01  0.903927D+01 -0.112044D+02
      3   0.391934D+01 -0.468795D+01  0.328502D+01 -0.672012D+01  0.182927D+01
               126           127           128           129           130 
      1  -0.672012D+01  0.201028D+02 -0.100859D+02  0.667834D+01  0.776940D+00
      2   0.182927D+01 -0.100859D+02  0.664698D+02 -0.561946D+01  0.145759D+02
      3  -0.113045D+02  0.667834D+01 -0.561946D+01  0.252159D+01 -0.869709D+00
               131           132           133           134           135 
      1   0.145759D+02 -0.869709D+00  0.617145D+01  0.130985D+01  0.158765D+01
      2   0.178667D+02  0.414343D+01  0.130985D+01  0.244253D+02 -0.376071D+00
      3   0.414343D+01 -0.111387D+00  0.158765D+01 -0.376071D+00  0.612948D+00
               136           137           138           139           140 
      1  -0.202510D+02  0.736843D+01 -0.581791D+01 -0.731811D+00 -0.872999D+01
      2   0.736843D+01 -0.663800D+02  0.654919D+01 -0.872999D+01 -0.146273D+02
      3  -0.581791D+01  0.654919D+01 -0.173567D+01 -0.760911D+00 -0.187795D+01
               141           142           143           144           145 
      1  -0.760911D+00 -0.472455D+01  0.137855D+01 -0.445887D+01 -0.107714D+02
      2  -0.187795D+01  0.137855D+01 -0.231560D+02  0.145345D+01  0.353212D+00
      3  -0.569993D+00 -0.445887D+01  0.145345D+01 -0.232095D+01 -0.474596D+01
               146           147           148           149           150 
      1   0.353212D+00 -0.474596D+01  0.104730D+02  0.597469D+00  0.908093D+01
      2  -0.116057D+02 -0.122326D+00  0.597469D+00  0.358993D+02 -0.198402D+01
      3  -0.122326D+00 -0.442797D+01  0.908093D+01 -0.198402D+01  0.688201D+01
               151           152           153           154           155 
      1   0.277561D+01  0.227035D+01 -0.319157D+01  0.166151D+02 -0.403503D+01
      2   0.227035D+01  0.526373D+01  0.348577D+00 -0.403503D+01  0.138842D+02
      3  -0.319157D+01  0.348577D+00 -0.442200D+01  0.127893D+02 -0.221927D+01
               156           157           158           159           160 
      1   0.127893D+02 -0.124671D+02 -0.111283D+01 -0.590873D+01  0.415027D+01
      2  -0.221927D+01 -0.111283D+01 -0.207790D+02  0.259514D+01 -0.189227D+00
      3   0.990579D+01 -0.590873D+01  0.259514D+01 -0.400783D+01  0.312729D+01
               161           162           163           164           165 
      1  -0.189227D+00  0.312729D+01  0.349613D+02  0.187901D+02 -0.177447D+01
      2   0.246721D+01 -0.537713D+01  0.187901D+02  0.301594D+02 -0.292359D+00
      3  -0.537713D+01 -0.410626D+00 -0.177447D+01 -0.292359D+00  0.833255D+00
               166           167           168           169           170 
      1  -0.165179D+02 -0.154705D+02 -0.386701D+00 -0.418664D+01 -0.453239D+01
      2  -0.154705D+02 -0.491419D+02 -0.211711D+01 -0.453239D+01 -0.145898D+02
      3  -0.386701D+00 -0.211711D+01 -0.293026D+00  0.651664D+00 -0.100390D+01
               171           172           173           174           175 
      1   0.651664D+00 -0.316407D+02 -0.173101D+02  0.182661D+01  0.212612D+02
      2  -0.100390D+01 -0.173101D+02 -0.273598D+02  0.126527D+01  0.211544D+02
      3  -0.415931D+00  0.182661D+01  0.126527D+01  0.379951D+00 -0.284671D+00
               176           177           178           179           180 
      1   0.211544D+02 -0.284671D+00  0.383713D+01  0.462389D+01 -0.188047D+01
      2   0.594261D+02  0.124118D+01  0.462389D+01  0.130792D+02  0.224808D+01
      3   0.124118D+01  0.326467D+00 -0.188047D+01  0.224808D+01  0.109766D+01
               181           182           183           184           185 
      1   0.145875D+02  0.878381D+01 -0.297476D+00  0.222798D+02  0.270902D+01
      2   0.878381D+01  0.104956D+02 -0.177727D+01  0.270902D+01  0.261570D+02
      3  -0.297476D+00 -0.177727D+01 -0.106344D+01  0.286108D+01 -0.390869D+01
               186           187           188           189           190 
      1   0.286108D+01  0.969678D+01  0.119391D+01 -0.294285D+01 -0.425648D+01
      2  -0.390869D+01  0.119391D+01  0.580202D+01  0.329757D+01 -0.435922D+01
      3   0.157845D+01 -0.294285D+01  0.329757D+01  0.584831D+00  0.174928D+01
               191           192           193           194           195 
      1  -0.435922D+01  0.174928D+01 -0.227664D+02  0.319704D+01 -0.233149D-01
      2   0.395086D+01 -0.152661D+01  0.319704D+01 -0.378832D+02  0.473503D+01
      3  -0.152661D+01 -0.801368D+00 -0.233149D-01  0.473503D+01 -0.546600D+00
               196           197           198           199           200 
      1  -0.438994D+01  0.170367D+01 -0.467397D+01 -0.162428D+02 -0.121896D+02
      2   0.170367D+01 -0.648836D+01 -0.879950D+00 -0.121896D+02 -0.911470D+01
      3  -0.467397D+01 -0.879950D+00 -0.217751D+01 -0.103744D+00  0.917748D+00
               201           202           203           204           205 
      1  -0.103744D+00 -0.408856D+02 -0.785350D+01  0.938193D+01 -0.181966D+02
      2   0.917748D+00 -0.785350D+01 -0.108440D+02  0.563008D-01 -0.248399D+01
      3  -0.766614D-02  0.938193D+01  0.563008D-01 -0.219842D+01  0.312288D+01
               206           207           208           209           210 
      1  -0.248399D+01  0.312288D+01 -0.275192D+02 -0.149561D+02  0.409270D+01
      2  -0.379721D+01 -0.105178D+01 -0.149561D+02 -0.351028D+02 -0.176484D+01
      3  -0.105178D+01 -0.174003D+01  0.409270D+01 -0.176484D+01 -0.340669D+01
               211           212           213           214           215 
      1  -0.133627D+02 -0.165627D+02  0.237771D+01 -0.173630D+01 -0.252646D+01
      2  -0.165627D+02 -0.359559D+02 -0.148970D+01 -0.252646D+01 -0.918789D+01
      3   0.237771D+01 -0.148970D+01 -0.734292D+00 -0.485400D+01  0.102205D+01
               216           217           218           219           220 
      1  -0.485400D+01  0.421693D+02  0.138273D+02 -0.841840D+01 -0.645881D+01
      2   0.102205D+01  0.138273D+02  0.291634D+02  0.122576D+01  0.285275D+00
      3   0.232956D+01 -0.841840D+01  0.122576D+01  0.371354D+01  0.192983D+01
               221           222           223           224           225 
      1   0.285275D+00  0.192983D+01 -0.462483D+01 -0.427893D+00  0.359038D+01
      2   0.913082D+01 -0.142310D+01 -0.427893D+00 -0.879793D+00  0.539814D+01
      3  -0.142310D+01  0.221131D-01  0.359038D+01  0.539814D+01  0.183676D+01
               226           227           228           229           230 
      1  -0.915824D+01  0.322958D+01  0.455616D+01  0.458523D+02  0.106854D+02
      2   0.322958D+01  0.164800D+01 -0.340571D+00  0.106854D+02  0.131665D+02
      3   0.455616D+01 -0.340571D+00 -0.153811D+01 -0.104488D+02 -0.401429D-01
               231           232           233           234           235 
      1  -0.104488D+02  0.165454D+02  0.329799D+01 -0.453843D+01 -0.463911D+01
      2  -0.401429D-01  0.329799D+01  0.285882D+01  0.140286D+01 -0.581430D+01
      3   0.235031D+01 -0.453843D+01  0.140286D+01  0.257586D+01 -0.856595D+00
               236           237           238           239           240 
      1  -0.581430D+01 -0.856595D+00  0.355400D+01  0.263938D+01 -0.254968D+00
      2  -0.601757D+01  0.562416D+00  0.263938D+01  0.352322D+01 -0.196932D+01
      3   0.562416D+00  0.410494D+00 -0.254968D+00 -0.196932D+01  0.358543D+00
               241           242           243           244           245 
      1   0.407790D+01  0.249043D+01  0.150823D+01  0.125542D+02  0.348680D+01
      2   0.249043D+01 -0.338456D+00  0.264884D+01  0.348680D+01  0.758326D+01
      3   0.150823D+01  0.264884D+01  0.214712D+01 -0.168368D+01  0.790171D+00
               246           247           248           249           250 
      1  -0.168368D+01  0.626218D+01 -0.378213D+01 -0.570599D+01  0.122017D+01
      2   0.790171D+00 -0.378213D+01 -0.289358D+01 -0.745058D+00 -0.400385D+01
      3   0.269510D+01 -0.570599D+01 -0.745058D+00  0.136945D+01  0.241544D+01
               251           252           253           254           255 
      1  -0.400385D+01  0.241544D+01  0.194064D+02  0.315133D+01 -0.478451D+01
      2  -0.460935D+01  0.179936D+01  0.315133D+01  0.421324D+01  0.400338D+00
      3   0.179936D+01 -0.863344D+00 -0.478451D+01  0.400338D+00  0.114574D+01
               256           257           258           259           260 
      1  -0.519076D+01  0.189157D+01  0.141430D+01 -0.566290D+01 -0.121505D+01
      2   0.189157D+01  0.286099D+01  0.864491D-01 -0.121505D+01  0.970994D+00
      3   0.141430D+01  0.864491D-01  0.112360D+01  0.414072D+01  0.812505D+00
               261           262           263           264           265 
      1   0.414072D+01 -0.242430D+02  0.410559D+00  0.801482D+01 -0.115101D+01
      2   0.812505D+00  0.410559D+00 -0.362626D+01 -0.171962D+01 -0.701199D+00
      3  -0.210078D+01  0.801482D+01 -0.171962D+01 -0.343813D+01  0.154007D+01
               266           267           268           269           270 
      1  -0.701199D+00  0.154007D+01  0.290176D+01  0.128629D+01 -0.168050D+01
      2  -0.313028D+01  0.732137D+00  0.128629D+01  0.348122D+01 -0.230619D+01
      3   0.732137D+00 -0.110653D+01 -0.168050D+01 -0.230619D+01 -0.869000D+00
               271           272           273           274           275 
      1   0.328517D+01 -0.419448D+01  0.559281D-01 -0.297529D+01  0.451345D+01
      2  -0.419448D+01  0.621558D+01 -0.106435D+00  0.451345D+01 -0.882471D+01
      3   0.559281D-01 -0.106435D+00  0.815493D+00  0.801193D+00 -0.100432D+01
               276           277           278           279           280 
      1   0.801193D+00  0.856024D+00  0.126138D+00  0.752175D+00 -0.850725D+00
      2  -0.100432D+01  0.126138D+00 -0.137490D+01 -0.595167D+00 -0.598373D+00
      3  -0.345632D+00  0.752175D+00 -0.595167D+00 -0.718981D-01 -0.108817D+01
               281           282           283           284           285 
      1  -0.598373D+00 -0.108817D+01 -0.217929D+00 -0.118480D+01 -0.350658D+00
      2  -0.180649D+01 -0.665172D+00 -0.118480D+01 -0.992193D+01 -0.465042D+01
      3  -0.665172D+00 -0.135272D+01 -0.350658D+00 -0.465042D+01 -0.314020D+01
               286           287           288           289           290 
      1  -0.974063D+00 -0.124202D+01 -0.617685D+00 -0.119613D+02 -0.316343D+01
      2  -0.124202D+01 -0.506026D+01 -0.343522D+01 -0.316343D+01 -0.125437D+01
      3  -0.617685D+00 -0.343522D+01 -0.204742D+01 -0.489924D+01 -0.112180D+01
               291           292           293           294           295 
      1  -0.489924D+01 -0.162153D+01 -0.205214D+01 -0.109411D+01 -0.467753D+01
      2  -0.112180D+01 -0.205214D+01 -0.471379D-01 -0.816117D+00 -0.135214D+01
      3  -0.290045D+01 -0.109411D+01 -0.816117D+00 -0.902455D+00 -0.198631D+01
               296           297           298           299           300 
      1  -0.135214D+01 -0.198631D+01 -0.138865D+01 -0.230237D+01 -0.101973D+01
      2  -0.837898D+00 -0.105039D+01 -0.230237D+01 -0.148153D+01 -0.165224D+01
      3  -0.105039D+01 -0.114105D+01 -0.101973D+01 -0.165224D+01 -0.100475D+01
               301           302           303           304           305 
      1  -0.223249D+01 -0.353829D+01 -0.190393D+01 -0.111414D+01 -0.261573D+01
      2  -0.353829D+01 -0.962982D+01 -0.466218D+01 -0.261573D+01 -0.470668D+01
      3  -0.190393D+01 -0.466218D+01 -0.303237D+01 -0.133441D+01 -0.247379D+01
               306           307           308           309           310 
      1  -0.133441D+01 -0.882654D+01  0.573019D+01  0.365918D+00  0.628976D+01
      2  -0.247379D+01  0.573019D+01 -0.327872D+01 -0.429429D-01 -0.498881D+01
      3  -0.213997D+01  0.365918D+00 -0.429429D-01 -0.641911D+00 -0.616566D+00
               311           312           313           314           315 
      1  -0.498881D+01 -0.616566D+00  0.696939D+00 -0.755604D+00 -0.449954D+00
      2   0.551884D+01  0.662645D+00 -0.755604D+00  0.124767D+01 -0.151449D+00
      3   0.662645D+00  0.557873D+00 -0.449954D+00 -0.151449D+00  0.167910D+00
               316           317           318           319           320 
      1  -0.151026D+02 -0.765616D+00 -0.317092D+01 -0.191161D+01 -0.140386D+01
      2  -0.765616D+00 -0.227646D+00 -0.178415D+00 -0.140386D+01 -0.129840D+01
      3  -0.317092D+01 -0.178415D+00 -0.148252D+01 -0.800007D+00 -0.483938D+00
               321           322           323           324           325 
      1  -0.800007D+00 -0.414361D+01 -0.558901D+00 -0.106543D+01 -0.657350D+01
      2  -0.483938D+00 -0.558901D+00 -0.197700D-02  0.326642D+00  0.470420D+01
      3  -0.341782D+00 -0.106543D+01  0.326642D+00 -0.593916D+00  0.148813D+01
               326           327           328           329           330 
      1   0.470420D+01  0.148813D+01  0.349375D+01 -0.519446D+01 -0.149227D+01
      2  -0.546916D+01 -0.129467D+01 -0.519446D+01  0.629366D+01  0.157999D+01
      3  -0.129467D+01 -0.937449D+00 -0.149227D+01  0.157999D+01  0.109886D+01
               331           332           333           334           335 
      1   0.104613D+01 -0.185577D+01 -0.895298D-01  0.114493D+01  0.178957D+01
      2  -0.185577D+01  0.940703D+00  0.990168D+00  0.178957D+01  0.226163D+01
      3  -0.895298D-01  0.990168D+00  0.281115D+00  0.226796D+00  0.420828D+00
               336           337           338           339           340 
      1   0.226796D+00  0.517212D+00  0.364610D+00  0.227960D+00 -0.328554D+00
      2   0.420828D+00  0.364610D+00  0.134186D+02  0.374080D+01 -0.197100D-01
      3   0.262689D+00  0.227960D+00  0.374080D+01  0.179653D+01 -0.258227D+00
               341           342           343           344           345 
      1  -0.197100D-01 -0.258227D+00  0.135063D+01  0.191596D+01  0.428136D+00
      2   0.458471D+01  0.121130D+01  0.191596D+01  0.261643D+01  0.524794D+00
      3   0.121130D+01  0.888629D+00  0.428136D+00  0.524794D+00  0.366280D+00
               346           347           348           349           350 
      1   0.149376D+01  0.340368D+01  0.105597D+01  0.658202D+00  0.890135D+00
      2   0.340368D+01  0.110840D+02  0.293080D+01  0.890135D+00  0.366166D+01
      3   0.105597D+01  0.293080D+01  0.155685D+01  0.272231D+00  0.132981D+01
               351           352           353           354           355 
      1   0.272231D+00  0.100427D+02  0.467057D+01 -0.405979D+00  0.319179D+01
      2   0.132981D+01  0.467057D+01  0.299978D+01 -0.152977D+00  0.248719D+01
      3   0.761647D+00 -0.405979D+00 -0.152977D+00  0.782203D+00  0.384500D+00
               356           357           358           359           360 
      1   0.248719D+01  0.384500D+00  0.552188D-01  0.447636D+00  0.114898D+00
      2   0.226952D+01  0.202079D+00  0.447636D+00  0.602363D+00  0.160623D+00
      3   0.202079D+00  0.306819D+00  0.114898D+00  0.160623D+00  0.238719D+00
               361           362           363           364           365 
      1   0.118415D+02 -0.222460D+01 -0.245631D+01  0.126518D+01  0.565194D+01
      2  -0.222460D+01  0.198511D+01  0.238209D+00  0.565194D+01 -0.316743D+01
      3  -0.245631D+01  0.238209D+00  0.235789D+01 -0.187352D+00 -0.248601D+01
               366           367           368           369           370 
      1  -0.187352D+00 -0.438605D+00  0.881060D+00  0.547478D+01 -0.147848D+01
      2  -0.248601D+01  0.881060D+00 -0.116519D+01 -0.146527D+01 -0.696662D+00
      3  -0.121772D+01  0.547478D+01 -0.146527D+01 -0.667065D+01  0.992294D-01
               371           372           373           374           375 
      1  -0.696662D+00  0.992294D-01 -0.824177D+00 -0.496670D+00  0.284378D+00
      2  -0.126826D+01  0.303911D+00 -0.496670D+00 -0.271678D+01  0.120502D-01
      3   0.303911D+00 -0.275743D+00  0.284378D+00  0.120502D-01 -0.124458D+01
               376           377           378 
      1  -0.145157D+00 -0.634148D+00  0.268872D+00
      2  -0.634148D+00 -0.130922D+01 -0.472034D+00
      3   0.268872D+00 -0.472034D+00 -0.488898D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.774062D+01 -0.121340D+02  0.324432D+01 -0.661196D+01  0.131636D+02
      2   0.713748D+01 -0.899926D+01  0.410184D+01 -0.489744D+01  0.774969D+01
      3  -0.404103D+01  0.124184D+01  0.711836D-01  0.660230D+01 -0.648701D+01
                 6             7             8             9            10 
      1  -0.248386D+01  0.112251D+01  0.178104D+01  0.460486D+01 -0.160959D+02
      2  -0.103236D+01  0.179838D+01 -0.661543D+00  0.349268D+01  0.863707D+01
      3   0.230427D+01 -0.267479D+01 -0.773881D+00 -0.386141D+01  0.266213D+02
                11            12            13            14            15 
      1   0.616171D+01 -0.333521D+02 -0.124176D+02  0.161058D+02 -0.157387D+02
      2   0.642401D+01 -0.429283D+01  0.387212D+01  0.774174D+01  0.324005D+01
      3  -0.147252D+02  0.367038D+02  0.218316D+02 -0.211662D+02  0.153064D+02
                16            17            18            19            20 
      1  -0.174979D+02 -0.517335D+01 -0.587668D+01  0.138360D+02  0.495255D+01
      2  -0.115309D+02  0.814373D+01  0.266640D+01 -0.625152D+00 -0.248950D+01
      3   0.259972D+02 -0.856146D+01  0.243702D+02 -0.247064D+02  0.488078D+01
                21            22            23            24            25 
      1   0.171447D+02  0.137335D+02  0.928774D+01  0.414457D+00  0.778292D+01
      2   0.434632D+01 -0.173886D+01 -0.708813D+01 -0.471319D+01 -0.634883D+01
      3  -0.290526D+02 -0.108464D+02 -0.250081D+02 -0.284753D+01 -0.229264D+02
                26            27            28            29            30 
      1  -0.102803D+01  0.230437D+02  0.263093D+01 -0.164921D+01  0.205222D+01
      2   0.569171D+01  0.634210D+01  0.221059D+00 -0.143794D+01 -0.334784D+00
      3   0.142115D+02 -0.336038D+02 -0.331691D+01  0.171718D+01 -0.418361D+01
                31            32            33            34            35 
      1   0.382453D+01  0.134888D+02  0.156595D+02  0.715550D+01  0.152361D+02
      2  -0.397238D+00  0.218595D+01  0.681347D+01 -0.350807D+01  0.145168D+01
      3  -0.156275D+01 -0.803187D+01 -0.129602D+02 -0.314932D+01 -0.972737D+01
                36            37            38            39            40 
      1   0.176643D+02  0.156438D+02  0.538334D+01  0.529889D+01  0.899959D+01
      2   0.233938D+01 -0.674959D+01 -0.174554D+01 -0.680682D+00 -0.129410D+02
      3  -0.108220D+02 -0.267313D+02 -0.149167D+02 -0.112489D+02 -0.312545D+02
                41            42            43            44            45 
      1  -0.847702D+01  0.510714D+01  0.887183D+01 -0.142227D+01  0.290584D+02
      2  -0.307688D+00 -0.181740D+01  0.141646D+01 -0.141367D+01  0.108740D+02
      3   0.130962D+02 -0.145910D+02 -0.224263D+02  0.316386D+02 -0.263650D+02
                46            47            48            49            50 
      1   0.910195D+01  0.813326D+00  0.846731D+01  0.232740D+01  0.760301D+00
      2  -0.975508D+01  0.374582D+00 -0.106138D+01  0.376616D+01 -0.133259D+01
      3  -0.168103D+02 -0.143740D+00 -0.122249D+02  0.391039D+00 -0.114072D+01
                51            52            53            54            55 
      1   0.419264D+01  0.104867D+02  0.235526D+01  0.958932D+01 -0.235470D+02
      2   0.310477D+01 -0.744982D+01  0.470128D+00 -0.238916D+01 -0.121295D+02
      3  -0.260664D+01 -0.154818D+02 -0.270142D+01 -0.133827D+02  0.163688D+02
                56            57            58            59            60 
      1   0.175596D+02 -0.162226D+02 -0.211037D+02  0.323368D+01 -0.213562D+02
      2   0.158580D+02  0.336749D+01  0.206359D+01  0.104720D+02 -0.978084D+00
      3  -0.252334D+02  0.176546D+02  0.300179D+02 -0.647181D+01  0.209109D+02
                61            62            63            64            65 
      1  -0.274101D+02  0.260924D+02 -0.288416D+02 -0.530913D+01  0.492279D+01
      2  -0.483173D+01  0.537204D+01 -0.171995D+02 -0.771378D+01  0.559836D+01
      3   0.574084D+02 -0.473044D+02  0.422269D+02 -0.858720D+01  0.231618D+01
                66            67            68            69            70 
      1   0.414446D+00  0.713471D+01 -0.851033D+01 -0.320999D+01  0.709007D+00
      2   0.355364D+00  0.895265D+01 -0.872283D+01 -0.226141D+01 -0.130597D+01
      3  -0.375014D-02  0.846122D+01 -0.310627D+01  0.927537D+00 -0.895898D+00
                71            72            73            74            75 
      1  -0.272377D+01 -0.137582D+01  0.512565D+02 -0.253146D+02  0.512707D+02
      2  -0.710095D+00 -0.121359D+01  0.191395D+02 -0.756419D+01  0.160357D+02
      3   0.330495D+01  0.304800D+00 -0.891260D+02  0.508046D+02 -0.801327D+02
                76            77            78            79            80 
      1  -0.787237D+02 -0.311803D+02 -0.964708D+02 -0.180230D+01 -0.233321D+02
      2  -0.215589D+01 -0.241536D+02 -0.899250D+01 -0.303957D+01 -0.139199D+02
      3   0.131480D+03 -0.224206D+01  0.157155D+03  0.204405D+02  0.362075D+02
                81            82            83            84            85 
      1  -0.163585D+02  0.447616D+02 -0.393825D+01  0.470943D+02  0.181065D+02
      2  -0.112289D+02  0.194153D+02  0.297650D+00  0.142636D+02  0.607496D+01
      3   0.309708D+02 -0.148742D+03  0.968815D+02 -0.854285D+02 -0.590122D+02
                86            87            88            89            90 
      1   0.253203D+02  0.244947D+02  0.632579D+02 -0.460064D+01  0.721285D+02
      2   0.166091D+02  0.840628D+01 -0.296293D+01  0.827278D+01  0.482261D+01
      3  -0.957624D+01 -0.570783D+02 -0.930796D+02  0.538755D+02 -0.119221D+03
                91            92            93            94            95 
      1  -0.483642D+02 -0.125183D+02 -0.555660D+02  0.376863D+02  0.426140D+01
      2   0.243930D+02 -0.181917D+02  0.159367D+02  0.262632D+00  0.277887D+01
      3   0.947332D+02 -0.325967D+02  0.882252D+02 -0.640273D+02  0.451198D+01
                96            97            98            99           100 
      1   0.426043D+02  0.284715D+01 -0.111085D+02  0.120801D+01  0.148701D+02
      2  -0.552635D+01  0.479838D+01 -0.110241D+02 -0.328594D+01 -0.652828D+01
      3  -0.737134D+02 -0.147185D+01  0.232075D+02  0.331751D+01 -0.337718D+02
               101           102           103           104           105 
      1   0.861320D+01  0.188777D+02  0.630500D+02 -0.376713D+02  0.332408D+02
      2   0.124500D+02  0.334447D-01  0.102568D+02 -0.628941D+00  0.279654D+01
      3  -0.417399D+02 -0.407112D+02 -0.169343D+03  0.208546D+03 -0.802928D+02
               106           107           108           109           110 
      1   0.354098D+02 -0.131514D+01  0.285097D+02 -0.263339D+02 -0.190271D+02
      2  -0.165223D+02  0.185011D+01 -0.168427D+02  0.164969D+01 -0.195400D+02
      3  -0.852593D+02  0.121394D+03 -0.567816D+02  0.608633D+02  0.542103D+02
               111           112           113           114           115 
      1  -0.248546D+02 -0.942352D+02  0.677189D+02 -0.550251D+02 -0.494306D+02
      2  -0.621145D+01 -0.189270D+02  0.234765D+02 -0.669513D+01 -0.259269D+02
      3   0.573885D+02  0.240741D+03 -0.325203D+03  0.132208D+03  0.119224D+03
               116           117           118           119           120 
      1   0.313814D+02 -0.368392D+02 -0.626382D+02  0.450120D+02 -0.408264D+02
      2   0.117227D+02 -0.905650D+01 -0.122339D+02  0.118415D+02 -0.485685D+01
      3  -0.106047D+03  0.724613D+02  0.191682D+03 -0.213425D+03  0.107321D+03
               121           122           123           124           125 
      1   0.271639D+02 -0.340423D+02  0.156335D+02 -0.368782D+02  0.169828D+02
      2   0.120486D+02 -0.173964D+02  0.501626D+01 -0.178892D+02  0.126040D+02
      3  -0.585275D+02  0.131008D+03 -0.324132D+02  0.692900D+02 -0.856558D+02
               126           127           128           129           130 
      1  -0.508219D+02  0.442400D+02 -0.716041D+02  0.159510D+02 -0.502295D+01
      2  -0.110976D+02  0.998787D+01 -0.357979D+02  0.363873D+01 -0.103544D+02
      3   0.553495D+02 -0.611401D+02  0.355552D+03 -0.271949D+02  0.800999D+02
               131           132           133           134           135 
      1  -0.170109D+02 -0.225763D+00  0.580824D+01 -0.648340D+01 -0.537232D+01
      2  -0.174475D+02 -0.188637D+01 -0.194801D+02 -0.150568D+02 -0.722309D+01
      3   0.769685D+02  0.197819D+02  0.283130D+02  0.136615D+03  0.320720D+01
               136           137           138           139           140 
      1  -0.473024D+02  0.923451D+02 -0.186622D+02  0.690227D+01  0.183496D+02
      2  -0.110162D+02  0.686415D+02 -0.538595D+01  0.219794D+02  0.210402D+02
      3   0.668883D+02 -0.472719D+03  0.429627D+02 -0.663072D+02 -0.952244D+02
               141           142           143           144           145 
      1   0.238698D+00 -0.117526D+02  0.572722D+02 -0.270878D+01 -0.173282D+02
      2   0.672333D+01 -0.272570D+00  0.294318D+02  0.109353D+01 -0.104534D+02
      3  -0.161649D+02 -0.725858D+01 -0.159684D+03  0.548909D+01  0.510233D+02
               146           147           148           149           150 
      1   0.375198D+01 -0.149157D+02  0.331464D+02 -0.671877D+02  0.249834D+02
      2   0.112099D+02  0.344094D+01 -0.865225D+01 -0.483717D+02 -0.436642D+01
      3  -0.736228D+02  0.202771D+02 -0.183800D+02  0.255645D+03 -0.334267D+02
               151           152           153           154           155 
      1  -0.133141D+02  0.115716D+02 -0.107055D+02  0.553843D+02 -0.196976D+02
      2   0.120900D+02 -0.771487D+01  0.820185D+01  0.205791D+02 -0.207352D+02
      3   0.119734D+01  0.440539D+02  0.150439D+02 -0.120407D+03  0.111155D+03
               156           157           158           159           160 
      1   0.398646D+02 -0.213238D+02  0.310249D+02 -0.191074D+02  0.989673D+01
      2   0.698241D+01 -0.119480D+01  0.102805D+02  0.402373D+00 -0.853727D+01
      3  -0.758576D+02  0.404415D+02 -0.130514D+03  0.345516D+02 -0.453981D+02
               161           162           163           164           165 
      1  -0.977594D+01  0.976479D+01 -0.109235D+02 -0.411827D+02  0.125000D+01
      2   0.286741D+02  0.985251D+01 -0.117747D+02 -0.129694D+02 -0.176610D+01
      3   0.164987D+02 -0.559965D+02  0.144064D+03  0.162845D+03 -0.136698D+01
               166           167           168           169           170 
      1  -0.252982D+01  0.378222D+02  0.590210D+00 -0.815250D+01  0.374364D+02
      2   0.192205D+02  0.256492D+02  0.251217D+01 -0.185279D+02  0.133632D+02
      3  -0.118039D+03 -0.233037D+03 -0.158094D+02 -0.696898D+01 -0.867865D+02
               171           172           173           174           175 
      1  -0.493495D+01  0.223317D+02  0.409091D+02  0.242204D+01 -0.513134D+00
      2   0.252655D+01  0.423571D+02  0.259941D+02  0.830988D+00 -0.127238D+02
      3  -0.723626D+00 -0.228245D+03 -0.209369D+03  0.311527D+01  0.159774D+03
               176           177           178           179           180 
      1  -0.677709D+02  0.441218D+01  0.105563D+02 -0.952356D+00  0.127832D+01
      2  -0.537433D+02 -0.250027D+01 -0.108014D+02 -0.245237D+02 -0.645143D+01
      3   0.380677D+03  0.668540D+01  0.117016D+02  0.937764D+02  0.327512D+01
               181           182           183           184           185 
      1  -0.187570D+02 -0.232388D+02  0.441555D+00 -0.193843D+01 -0.400254D+02
      2  -0.268168D+02 -0.904453D+01  0.406945D+01 -0.189417D+02 -0.189822D+02
      3   0.131549D+03  0.976984D+02 -0.780477D+01  0.779817D+02  0.193512D+03
               186           187           188           189           190 
      1   0.193525D-01  0.146223D+02 -0.378912D+01 -0.314442D+01  0.100012D+02
      2  -0.419399D+01 -0.245088D+01 -0.410320D+02 -0.919369D+01  0.495844D+01
      3  -0.171660D+02  0.283347D+02  0.514825D+02  0.177792D+02 -0.508713D+02
               191           192           193           194           195 
      1  -0.108637D+02  0.310779D+01 -0.241494D+02  0.484174D+02 -0.729387D+01
      2  -0.712564D+01  0.714427D+01 -0.109747D+02  0.411319D+02 -0.303575D+01
      3   0.361450D+02 -0.107121D+02 -0.447654D+01 -0.285924D+03  0.333204D+02
               196           197           198           199           200 
      1   0.376146D+00  0.340931D+02  0.581755D+01  0.390564D+01  0.163866D+02
      2   0.187623D+02  0.223536D+02  0.108876D+02 -0.695303D+01 -0.560067D+01
      3  -0.696258D+01 -0.411629D+02 -0.152611D+02 -0.464533D+02 -0.379371D+02
               201           202           203           204           205 
      1   0.410756D+00  0.218055D+01  0.120595D+02 -0.385838D+00 -0.806264D+00
      2  -0.724743D+00  0.153211D+02  0.129053D+00 -0.213155D+01 -0.621103D+01
      3  -0.180018D+01 -0.196125D+03 -0.516372D+02  0.436529D+02 -0.884512D+02
               206           207           208           209           210 
      1   0.219636D+02  0.359357D+01  0.558992D+01  0.398211D+02  0.716576D+01
      2  -0.819729D+00  0.309872D+01  0.245696D+02  0.320218D+02  0.324014D+01
      3  -0.509406D+02  0.175731D+02 -0.197831D+03 -0.222584D+03  0.164640D+02
               211           212           213           214           215 
      1  -0.678279D+01  0.370281D+02 -0.355507D+01  0.314747D+02  0.179172D+02
      2   0.126118D+02  0.421768D+02  0.406126D+00  0.111311D+01 -0.364567D+01
      3  -0.114258D+03 -0.252397D+03  0.605435D+01 -0.247797D+02 -0.536285D+02
               216           217           218           219           220 
      1  -0.553253D+01 -0.656280D+01 -0.391618D+02 -0.351311D+01  0.556290D+01
      2   0.186392D+00 -0.366515D+02 -0.164253D+02  0.375086D+01  0.100473D+02
      3  -0.228952D+02  0.290842D+03  0.158981D+03 -0.479840D+02 -0.360013D+02
               221           222           223           224           225 
      1   0.594837D+01 -0.487921D+01 -0.143608D+02 -0.200847D+02 -0.102111D+02
      2  -0.801227D+01 -0.300088D+01 -0.203634D+02 -0.154967D+02 -0.751588D+01
      3   0.548795D+02  0.107526D+02 -0.335948D+02  0.854666D+01  0.430880D+02
               226           227           228           229           230 
      1   0.203421D+01  0.132210D+00 -0.137968D+01  0.503558D+01 -0.260628D+02
      2  -0.399486D+01 -0.177187D+02 -0.304663D+01 -0.329044D+02 -0.241504D+01
      3  -0.430741D+02  0.802500D+02  0.207198D+02  0.313682D+03  0.827340D+02
               231           232           233           234           235 
      1   0.219467D+01 -0.119512D+01  0.226979D-01 -0.395299D+01 -0.380966D+01
      2   0.856324D+01 -0.307873D+02 -0.549444D+01  0.658100D+01  0.109376D+02
      3  -0.731295D+02  0.104039D+03  0.223633D+02 -0.256819D+02 -0.575290D+02
               236           237           238           239           240 
      1   0.296182D+01  0.884775D+00  0.102711D+01  0.206683D+01 -0.275132D+01
      2   0.174662D+02 -0.170673D+01  0.188700D+01 -0.295604D+01  0.793977D+00
      3  -0.846810D+02  0.682978D+01  0.265674D+02  0.475027D+01 -0.302190D+01
               241           242           243           244           245 
      1  -0.876192D+01 -0.954424D+01 -0.835944D+01 -0.388491D+00 -0.653838D+01
      2  -0.192707D+02  0.333212D+01  0.100346D+02 -0.504118D+01 -0.531246D+01
      3   0.276258D+02  0.287543D+02 -0.123365D+01  0.650544D+02  0.318955D+02
               246           247           248           249           250 
      1  -0.746091D+01  0.148211D+02  0.302722D+01 -0.188371D+01 -0.143423D+02
      2   0.704667D+01 -0.166884D+00 -0.190646D+01 -0.402986D+01  0.607036D+01
      3  -0.825084D+01  0.817717D+01 -0.236417D+02 -0.947021D+01 -0.631802D+00
               251           252           253           254           255 
      1   0.674159D+01  0.746213D+01  0.716131D+01  0.212964D+01 -0.503639D+01
      2   0.904444D+01 -0.360511D+01 -0.229635D+02 -0.315926D+01  0.186639D+01
      3  -0.217815D+02  0.172720D+02  0.137143D+03  0.282334D+02 -0.456677D+02
               256           257           258           259           260 
      1   0.424406D+01 -0.114043D+02 -0.542543D+01 -0.100883D+02  0.730304D+01
      2  -0.409310D+01  0.342127D+01  0.879906D+01 -0.117530D+02 -0.312314D+01
      3   0.279347D+01  0.838968D+01 -0.129804D+02 -0.220654D+02 -0.180533D+02
               261           262           263           264           265 
      1   0.933782D+01 -0.917745D+01  0.233809D+01  0.515189D+01 -0.463164D+01
      2   0.645670D+01  0.101301D+02  0.860916D+01 -0.567112D-01  0.502852D+01
      3   0.130457D+02 -0.134098D+03 -0.303325D+02  0.424620D+02 -0.263313D+01
               266           267           268           269           270 
      1  -0.172346D+01  0.264813D-02  0.201779D+01  0.541912D+01  0.400328D+01
      2  -0.860150D+00 -0.356765D+01 -0.121081D+02 -0.446728D+01 -0.318984D+01
      3   0.189679D+02  0.798663D+01 -0.215198D+01 -0.614129D+01  0.881325D+01
               271           272           273           274           275 
      1   0.221489D+01 -0.240005D+01  0.586631D+01  0.325753D+01 -0.352208D+01
      2   0.115039D+01 -0.116130D+01  0.269757D+01 -0.497039D+00  0.118353D+01
      3  -0.172840D+02  0.171186D+02 -0.237918D+01  0.163450D+02 -0.202216D+02
               276           277           278           279           280 
      1  -0.240831D+01  0.233684D+01  0.464276D+00 -0.400530D+00 -0.521998D+01
      2  -0.110715D+01  0.101900D+01  0.202016D+00  0.219806D+00 -0.132889D+01
      3  -0.541404D+01 -0.877828D+01  0.734814D+00 -0.496302D+01  0.615647D+01
               281           282           283           284           285 
      1  -0.118958D+01 -0.679900D+01 -0.102387D+01 -0.114562D+02 -0.126086D+02
      2   0.320639D+00 -0.424433D+00 -0.116212D+01  0.167925D+01  0.190634D+01
      3  -0.303289D+01  0.654599D+01  0.987543D+00 -0.316505D+01 -0.243980D+01
               286           287           288           289           290 
      1  -0.887196D+00 -0.859182D+01 -0.579249D+01 -0.843337D+01  0.544767D+00
      2  -0.188005D+01  0.347852D+00  0.129313D+01  0.174978D+01  0.917363D+00
      3   0.699922D+01  0.277671D+01 -0.266006D+00  0.127643D+02 -0.266240D+01
               291           292           293           294           295 
      1  -0.578731D+01 -0.635579D-01 -0.171797D+01 -0.152137D+01 -0.121717D+01
      2   0.733791D+01  0.367548D+01 -0.112392D+01  0.259219D+01 -0.165627D+01
      3   0.600041D+01 -0.588363D+01  0.768183D+01 -0.632352D+00  0.494858D+01
               296           297           298           299           300 
      1  -0.182906D+01 -0.312953D+00  0.494365D+00 -0.347328D+01 -0.104708D+01
      2   0.116079D+01  0.261334D+01  0.254187D+01  0.177668D+01  0.336509D+01
      3  -0.205428D-02 -0.170985D+01 -0.610931D+01  0.341212D+01 -0.489199D+01
               301           302           303           304           305 
      1  -0.114420D+01  0.313435D+00 -0.519953D+01  0.525344D+00  0.210904D+01
      2   0.132764D+01  0.122915D+02  0.816068D+01  0.228727D+01  0.221940D+01
      3  -0.195550D+01 -0.268711D+02 -0.119989D+02 -0.561123D+01 -0.896594D+01
               306           307           308           309           310 
      1  -0.349509D+01 -0.338735D+01  0.581186D+00  0.265465D+01  0.344575D+01
      2   0.429381D+01 -0.368778D+01 -0.278198D-01  0.438338D+01  0.375604D+01
      3  -0.387020D+01  0.122328D+02 -0.596324D+01  0.552105D+00 -0.971633D+01
               311           312           313           314           315 
      1  -0.452611D+01 -0.346526D+01 -0.227097D+00  0.639014D+00 -0.137464D+00
      2  -0.662090D+01 -0.461479D+01 -0.477687D+00  0.248013D+01 -0.187109D+00
      3   0.218741D+02  0.321965D+01 -0.137531D+01  0.660503D+01 -0.298703D+01
               316           317           318           319           320 
      1   0.134507D+01  0.763084D+00  0.311929D+00  0.975293D+00  0.277010D+01
      2   0.699866D+01  0.243049D+00  0.863730D+01  0.367293D+01  0.402963D+01
      3  -0.154589D+02 -0.330811D+01 -0.420686D+01 -0.765411D+01 -0.116826D+02
               321           322           323           324           325 
      1   0.187112D+00 -0.355789D-02 -0.448286D-01 -0.703195D+00 -0.174723D+01
      2   0.250920D+01 -0.164556D+00 -0.168657D+01  0.153139D+01  0.245348D+01
      3  -0.375203D+01 -0.660135D+01 -0.372022D+01  0.213523D+01 -0.166137D+02
               326           327           328           329           330 
      1   0.232076D+01  0.413521D+01  0.408443D+01 -0.117123D+01 -0.469103D+01
      2   0.375235D+00  0.331101D+01  0.164564D+01  0.862982D-01 -0.299461D+01
      3  -0.103077D+01  0.185362D+01 -0.209463D+00 -0.361169D+01 -0.201992D+01
               331           332           333           334           335 
      1  -0.321238D+01 -0.106774D+01 -0.120333D+01 -0.111969D+01 -0.105971D+01
      2  -0.149041D+01  0.792536D-01 -0.144701D+01 -0.265553D+01 -0.241811D+01
      3  -0.143657D+01 -0.698421D+01  0.427125D+01  0.131216D+02  0.123048D+02
               336           337           338           339           340 
      1  -0.127800D+01 -0.129751D+01 -0.771218D+01 -0.860189D+01  0.299983D+01
      2   0.228479D-01 -0.179399D+01 -0.704615D+01 -0.248387D+01  0.101548D+01
      3   0.103341D+01  0.563368D+01  0.257666D+02  0.913423D+01 -0.211731D+01
               341           342           343           344           345 
      1   0.219368D+01 -0.256283D+01 -0.138459D+01 -0.934360D+00 -0.152183D+01
      2  -0.765623D+00 -0.108477D+00  0.914632D+00 -0.480670D-01  0.542912D+00
      3   0.731681D+01 -0.817753D+00  0.383576D+00  0.254701D+01  0.193786D+01
               346           347           348           349           350 
      1  -0.289429D+01 -0.727536D+01 -0.823188D+01 -0.547828D+00 -0.130394D+01
      2  -0.692254D-01  0.361385D+01  0.280547D+01 -0.370279D+00  0.518942D+00
      3   0.485343D+01 -0.126884D+01 -0.382063D-02  0.284330D+01 -0.319203D+01
               351           352           353           354           355 
      1  -0.263249D+01 -0.171273D+00 -0.322281D+00 -0.311745D+01 -0.254831D+01
      2   0.499374D+00 -0.132589D+01 -0.557488D+00  0.460480D+01  0.253924D+01
      3  -0.299847D-01  0.291657D+02  0.767999D+01 -0.168257D+01  0.546920D+01
               356           357           358           359           360 
      1  -0.128178D+01 -0.122339D+01  0.106370D+01  0.134299D+00 -0.635161D+00
      2   0.113145D+01  0.131426D+01 -0.133995D+01 -0.906378D+00  0.643900D+00
      3   0.270495D+01  0.202377D+01 -0.428011D+01  0.711099D+00 -0.221663D+00
               361           362           363           364           365 
      1   0.338089D+01 -0.519900D+01 -0.168922D+01 -0.764763D+00  0.989783D+01
      2   0.552410D+01  0.158320D+01  0.151149D+02 -0.266542D+01 -0.544544D+01
      3   0.858397D+01 -0.320950D+02  0.100491D+01  0.965841D+01  0.344851D+02
               366           367           368           369           370 
      1  -0.559602D+01 -0.839941D+01  0.136223D+02  0.849348D+01  0.762288D-01
      2  -0.515489D+01 -0.193705D+01 -0.591679D+01 -0.117100D+02 -0.204523D+01
      3   0.998794D+00  0.833817D+01  0.132669D+02  0.192331D+02  0.864858D+00
               371           372           373           374           375 
      1   0.304274D+01 -0.453401D+00  0.900842D-02  0.574266D+01 -0.719397D+00
      2  -0.201197D+01  0.164029D+00 -0.275886D+01 -0.429694D+01  0.218700D+00
      3  -0.266939D+00  0.174446D+01  0.648789D+01  0.122720D+02 -0.403247D-01
               376           377           378 
      1   0.180819D+01  0.595436D+01 -0.728593D+00
      2  -0.143838D+01 -0.125032D+01 -0.606401D+00
      3  -0.871871D+00  0.447259D+01  0.146759D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.373773D+01 -0.450399D+01  0.360760D+01  0.130280D+01  0.100446D+00
      2  -0.175610D+01  0.209624D+01  0.312832D+01  0.206507D+01 -0.174776D+01
      3  -0.198162D+01  0.240775D+01 -0.673592D+01 -0.336788D+01  0.164731D+01
      4   0.465472D+00 -0.969363D+00  0.610810D+00 -0.557621D-01  0.579983D+00
      5  -0.808392D+01  0.771705D+01  0.262243D+01  0.748556D+01 -0.900656D+01
      6   0.391959D+01 -0.575769D+01 -0.194808D+00 -0.302310D+01  0.703000D+01
                 6             7             8             9            10 
      1  -0.388995D+01  0.281185D+01 -0.489083D+01  0.120894D+01 -0.130257D+02
      2  -0.484551D+01  0.148638D+01 -0.116716D+01 -0.198595D+01  0.154635D+02
      3   0.873546D+01 -0.429823D+01  0.605799D+01  0.777013D+00 -0.243778D+01
      4   0.504626D+00  0.171460D+01 -0.854742D-01  0.490069D+00  0.230929D+02
      5  -0.442190D+01  0.115940D+01 -0.113872D+01 -0.424559D+01 -0.275493D+02
      6   0.290260D+01 -0.137892D+00  0.218512D+01  0.398725D+01  0.142238D+02
                11            12            13            14            15 
      1   0.143735D+02  0.109294D+02 -0.141470D+02  0.868966D+01 -0.850133D+01
      2   0.926527D+00  0.335434D+02  0.180902D+02 -0.505188D+01  0.157441D+02
      3  -0.153001D+02 -0.444728D+02 -0.394321D+01 -0.363778D+01 -0.724282D+01
      4   0.379858D+00  0.859188D+01  0.926062D+01  0.167968D+02  0.889841D+01
      5   0.844861D+01  0.323688D+01 -0.149530D+02  0.127121D+01  0.389869D+00
      6  -0.698708D+01  0.157913D+02  0.140600D+02  0.517281D+01  0.133140D+02
                16            17            18            19            20 
      1  -0.125677D+02  0.959000D+01 -0.467323D+01  0.207151D+02 -0.195710D+02
      2   0.354375D+02 -0.943366D+01  0.278189D+02 -0.169167D+02  0.102868D+02
      3  -0.228698D+02 -0.156334D+00 -0.231456D+02 -0.379833D+01  0.928415D+01
      4   0.165327D+02  0.554017D+00  0.274743D+02 -0.281617D+02  0.792108D+01
      5  -0.138059D+02  0.180783D+02 -0.259248D+02  0.253427D+02 -0.227627D+02
      6   0.261941D+02 -0.123919D+02  0.220768D+02 -0.224712D+02  0.178335D+02
                21            22            23            24            25 
      1   0.163908D+02 -0.180515D+01  0.204129D+02  0.124867D+02  0.477553D+01
      2   0.432838D+01 -0.161333D+02 -0.141357D+02 -0.850605D+01 -0.211247D+02
      3  -0.207191D+02  0.179385D+02 -0.627720D+01 -0.398067D+01  0.163492D+02
      4  -0.193014D+02  0.139471D+02 -0.358316D+01  0.169339D+01 -0.178344D+02
      5   0.172400D+01  0.122963D+02  0.128451D+02  0.179322D+02  0.221866D+02
      6  -0.185633D+01  0.811547D+01 -0.121140D+02 -0.359941D+01 -0.218502D+02
                26            27            28            29            30 
      1  -0.132913D+01 -0.233161D+02 -0.180739D+01  0.249690D+00 -0.321981D+01
      2   0.121968D+02 -0.446366D+02 -0.783708D+01 -0.110481D+01 -0.100850D+02
      3  -0.108677D+02  0.679527D+02  0.964447D+01  0.855116D+00  0.133048D+02
      4  -0.198117D+01 -0.181780D+02  0.501755D+00  0.241804D+01  0.632418D+00
      5  -0.176473D+02  0.981703D+01  0.644892D+01  0.359924D+01  0.125345D+02
      6   0.364944D+01 -0.433989D+02  0.109486D+01  0.162422D+01 -0.185795D+01
                31            32            33            34            35 
      1  -0.383843D+01 -0.124300D+02 -0.230589D+02 -0.461187D+01 -0.106565D+02
      2  -0.605683D+01 -0.115828D+02 -0.265262D+02 -0.107970D+02 -0.148791D+02
      3   0.989526D+01  0.240128D+02  0.495851D+02  0.154089D+02  0.255355D+02
      4   0.400360D+01  0.697351D+01  0.860654D+01  0.390997D+01  0.557594D+01
      5   0.531509D+01  0.589953D+01  0.925688D+01  0.111397D+02  0.876459D+01
      6   0.626316D+01  0.161265D+02  0.194381D+02  0.670732D+01  0.124745D+02
                36            37            38            39            40 
      1  -0.241202D+02  0.163070D+01  0.125391D+02 -0.544730D+01  0.334011D+02
      2  -0.326860D+02 -0.760014D+01 -0.218432D+02 -0.966590D+01 -0.187774D+02
      3   0.568062D+02  0.596944D+01  0.930406D+01  0.151132D+02 -0.146237D+02
      4   0.953867D+01  0.196441D+01  0.682626D+01  0.550383D+01 -0.352530D+02
      5   0.178944D+02 -0.349428D+01  0.143823D+02  0.561682D+00  0.190789D+02
      6   0.208540D+02  0.883132D+01 -0.296600D+01  0.833763D+01 -0.233265D+02
                41            42            43            44            45 
      1  -0.201247D+02  0.136610D+02 -0.198463D+02 -0.317368D+01 -0.428227D+02
      2   0.933429D+01  0.146708D+02  0.108595D+01  0.710715D+01 -0.158200D+02
      3   0.107904D+02 -0.283318D+02  0.187604D+02 -0.393346D+01  0.586427D+02
      4   0.109550D+02 -0.168748D+02 -0.333978D+02  0.196839D+02 -0.233054D+02
      5  -0.213411D+02 -0.699389D+01  0.787819D+01 -0.208584D+02  0.134770D+02
      6   0.189556D+02  0.546201D+01 -0.375136D+02  0.354262D+02 -0.459493D+02
                46            47            48            49            50 
      1   0.251355D+02 -0.104482D+01  0.916321D+01 -0.389564D+01  0.877770D+00
      2  -0.452672D+02  0.579056D+01 -0.369361D+02 -0.208437D+01 -0.276561D+01
      3   0.201317D+02 -0.474574D+01  0.277729D+02  0.598001D+01  0.188784D+01
      4  -0.252878D+02  0.914820D+01 -0.193352D+02  0.931762D+01 -0.348104D+01
      5   0.648856D+02 -0.110009D+02  0.540662D+02 -0.232646D+01  0.684936D+01
      6  -0.251815D+02  0.100028D+02 -0.243014D+02  0.695043D+01 -0.358384D+01
                51            52            53            54            55 
      1  -0.387945D+01  0.128340D+02  0.179942D+00  0.598529D+01  0.168479D+02
      2  -0.649842D+01 -0.358929D+02  0.153438D+01 -0.348374D+02 -0.446475D+01
      3   0.103779D+02  0.230589D+02 -0.171432D+01  0.288521D+02 -0.123832D+02
      4   0.599652D+01 -0.123877D+02  0.417021D+01 -0.110848D+02  0.151437D+02
      5   0.187895D+01  0.474508D+02 -0.445482D+01  0.452308D+02 -0.179598D+01
      6   0.427098D+01 -0.143485D+02  0.556791D+01 -0.148256D+02  0.154306D+02
                56            57            58            59            60 
      1   0.466163D+01  0.143110D+02  0.121460D+01 -0.164217D+02  0.172442D+02
      2  -0.493628D+01 -0.928874D+01  0.254965D+02  0.103951D+01  0.467633D+01
      3   0.274644D+00 -0.502222D+01 -0.267111D+02  0.153822D+02 -0.219206D+02
      4  -0.133115D+02  0.176436D+02  0.960585D+01 -0.229979D+01  0.267838D+02
      5   0.140454D+02  0.605025D+01 -0.239612D+02  0.202887D+02 -0.201974D+02
      6  -0.228226D+02  0.977068D+01  0.285351D+02 -0.343717D+02  0.374199D+02
                61            62            63            64            65 
      1  -0.135740D+02  0.306691D+02  0.107800D+02  0.121194D+02 -0.352142D+01
      2   0.277284D+02 -0.312721D+02  0.163707D+02  0.116102D+02 -0.169510D+02
      3  -0.141543D+02  0.603005D+00 -0.271507D+02 -0.237296D+02  0.204724D+02
      4   0.398871D+02  0.216613D+01  0.160017D+02 -0.457598D+02  0.415281D+02
      5  -0.216986D+02  0.157674D+02 -0.857730D+01  0.148317D+02 -0.128341D+02
      6   0.275570D+02  0.169456D+01  0.124450D+02 -0.196000D+02  0.216054D+02
                66            67            68            69            70 
      1  -0.308117D+00 -0.608741D+01 -0.213217D+01  0.186847D+01  0.226839D+01
      2   0.263016D+01 -0.202962D+02  0.315676D+02 -0.372815D+01 -0.380723D+01
      3  -0.232205D+01  0.263836D+02 -0.294355D+02  0.185968D+01  0.153884D+01
      4  -0.947275D+01  0.446003D+02 -0.474383D+02  0.565249D+01 -0.736482D+00
      5   0.702818D+01 -0.962017D+01  0.939494D+01 -0.460441D+01  0.607465D+01
      6  -0.930333D+01  0.176792D+02 -0.221952D+02  0.727100D+01 -0.508752D+01
                71            72            73            74            75 
      1  -0.205206D+01 -0.198809D+00 -0.252793D+02 -0.846060D+01 -0.244210D+02
      2   0.719610D+01  0.243497D+01 -0.229371D+02  0.111508D+02 -0.249125D+02
      3  -0.514403D+01 -0.223616D+01  0.482164D+02 -0.269021D+01  0.493335D+02
      4  -0.294376D+01 -0.556093D+01 -0.470459D+02  0.110793D+02 -0.351077D+02
      5  -0.436112D+01  0.194375D+01  0.204223D+02 -0.147452D+02  0.175938D+02
      6   0.293952D+01 -0.234733D+01 -0.389153D+02  0.445029D+01 -0.328020D+02
                76            77            78            79            80 
      1   0.387882D+02 -0.361270D+02  0.232690D+02  0.291815D+00 -0.109468D+02
      2   0.436026D+02  0.519899D+02  0.834217D+02  0.119024D+02  0.225717D+02
      3  -0.823909D+02 -0.158629D+02 -0.106691D+03 -0.121942D+02 -0.116249D+02
      4   0.454235D+02 -0.265421D+02  0.428893D+02 -0.247864D+01 -0.785375D+01
      5  -0.426911D+02 -0.611168D+01 -0.412211D+02 -0.488314D+01 -0.928080D+01
      6   0.556383D+02 -0.394898D+01  0.665695D+02  0.309361D+01  0.157615D+02
                81            82            83            84            85 
      1  -0.653812D+01 -0.543400D+02  0.853518D+02 -0.993764D+01 -0.162226D+02
      2   0.383664D+02 -0.232674D+00 -0.798786D+02 -0.364340D+02 -0.143476D+02
      3  -0.318283D+02  0.545727D+02 -0.547327D+01  0.463716D+02  0.305702D+02
      4  -0.163121D+00 -0.443086D+02  0.229054D+02 -0.229750D+02 -0.246195D+02
      5  -0.201206D+02  0.129225D+02  0.869862D+01  0.252618D+02  0.114712D+02
      6   0.117876D+02 -0.226566D+02 -0.127972D+02 -0.433017D+02 -0.972632D+01
                86            87            88            89            90 
      1  -0.603624D+01  0.360451D+01 -0.473857D+02  0.824854D+02 -0.296482D+02
      2   0.195009D+01 -0.474770D+02  0.181629D+01 -0.100528D+03 -0.249606D+02
      3   0.408615D+01  0.438725D+02  0.455694D+02  0.180423D+02  0.546088D+02
      4   0.287610D+02 -0.621409D+01 -0.141228D+02  0.157751D+02 -0.302453D+02
      5   0.550805D+01  0.190458D+02  0.293087D+02  0.396670D+01  0.231615D+02
      6  -0.198911D+02 -0.123053D+02 -0.476079D+02  0.288757D+02 -0.558899D+02
                91            92            93            94            95 
      1   0.647681D+02 -0.300994D+02  0.390543D+02 -0.749948D+01  0.386824D+01
      2   0.214836D+02  0.313561D+02  0.506391D+02 -0.486871D+02 -0.134640D+02
      3  -0.862516D+02 -0.125668D+01 -0.896934D+02  0.561865D+02  0.959575D+01
      4   0.596725D+02 -0.276932D+02  0.455104D+02 -0.344788D+02  0.228190D+01
      5  -0.358338D+02 -0.524055D+01 -0.295398D+02  0.277927D+02 -0.721329D+01
      6   0.536432D+02 -0.450021D+01  0.604672D+02 -0.473064D+02  0.227556D+01
                96            97            98            99           100 
      1  -0.765796D+01  0.312502D+02 -0.209110D+02  0.227081D+02 -0.382256D+02
      2  -0.616856D+02 -0.177924D+02  0.129303D+02 -0.674496D+01 -0.111818D+02
      3   0.693436D+02 -0.134578D+02  0.798074D+01 -0.159631D+02  0.494075D+02
      4  -0.425141D+02  0.857417D+01 -0.276786D+02  0.612784D+01 -0.314034D+02
      5   0.343945D+02 -0.354739D+00 -0.357029D+01 -0.461758D+01  0.320221D+01
      6  -0.489892D+02  0.440287D+01 -0.342016D+01  0.486072D+01 -0.256014D+02
               101           102           103           104           105 
      1  -0.139105D+02 -0.232401D+02 -0.117129D+03  0.157883D+03 -0.730705D+02
      2   0.562764D+00 -0.215794D+02  0.532623D+02 -0.122772D+03  0.314851D+02
      3   0.133477D+02  0.448196D+02  0.638668D+02 -0.351111D+02  0.415855D+02
      4   0.393597D+02 -0.232392D+02 -0.599787D+02 -0.201323D+02 -0.440838D+02
      5   0.180161D+02  0.148811D+02 -0.291096D+00 -0.366503D+02 -0.274940D+01
      6   0.104074D+01 -0.252866D+02 -0.560303D+02  0.187837D+02 -0.311829D+02
               106           107           108           109           110 
      1  -0.874336D+02  0.697558D+02 -0.487015D+02 -0.116323D+02  0.580814D+02
      2   0.268630D+02 -0.508156D+02 -0.486318D+01  0.505285D+02 -0.689138D+02
      3   0.605706D+02 -0.189402D+02  0.535646D+02 -0.388962D+02  0.108325D+02
      4  -0.424793D+02  0.114069D+02 -0.312861D+02  0.617241D+02  0.366931D+02
      5   0.614006D+01 -0.682809D+01 -0.105448D+01  0.134530D+02  0.160103D+02
      6  -0.393307D+02  0.717690D+01 -0.382291D+02  0.389925D+02 -0.111675D+02
               111           112           113           114           115 
      1   0.308217D+02  0.146715D+03 -0.189349D+03  0.835614D+02  0.625838D+02
      2   0.187152D-01 -0.697464D+02  0.156155D+03 -0.223949D+02 -0.114710D+02
      3  -0.308404D+02 -0.769683D+02  0.331945D+02 -0.611665D+02 -0.511128D+02
      4   0.448420D+02  0.614372D+02 -0.140414D+02  0.373576D+02  0.455620D+02
      5   0.957795D+01 -0.746136D+01  0.293544D+02 -0.268915D+01  0.100644D+01
      6   0.233340D+02  0.541572D+02 -0.230138D+02  0.365713D+02  0.419591D+02
               116           117           118           119           120 
      1  -0.499756D+02  0.365348D+02  0.100626D+03 -0.147921D+03  0.470877D+02
      2   0.199624D+02 -0.251990D+01 -0.468033D+02  0.156139D+03  0.123255D+01
      3   0.300133D+02 -0.340149D+02 -0.538226D+02 -0.821746D+01 -0.483203D+02
      4  -0.995517D+01  0.408592D+02  0.516691D+02 -0.530076D+02  0.179004D+02
      5   0.261400D+02 -0.233457D+00 -0.217028D+02 -0.512169D+01 -0.193874D+02
      6   0.818201D+00  0.368586D+02  0.276408D+02 -0.322119D+02  0.220182D+02
               121           122           123           124           125 
      1  -0.570958D+02  0.795289D+02 -0.179992D+02  0.499301D+02 -0.431776D+02
      2   0.508174D+02 -0.550732D+02  0.849127D+01 -0.370371D+02  0.364413D+02
      3   0.627842D+01 -0.244557D+02  0.950793D+01 -0.128930D+02  0.673630D+01
      4   0.999726D+01  0.301925D+02 -0.159717D+01  0.151733D+02 -0.420697D+02
      5   0.618150D+01 -0.113976D+02  0.639996D+01 -0.160868D+01 -0.373651D+01
      6  -0.115110D+02 -0.760816D+01 -0.171929D+02  0.261040D+02 -0.545222D+01
               126           127           128           129           130 
      1   0.109436D+02 -0.114563D+03  0.133871D+03 -0.381034D+02 -0.184232D+02
      2   0.496266D+01  0.721380D+02 -0.535803D+02  0.289324D+02  0.146310D+02
      3  -0.159062D+02  0.424247D+02 -0.802908D+02  0.917091D+01  0.379217D+01
      4   0.117454D+02 -0.822850D+01 -0.141407D+03 -0.622964D+01  0.508048D+01
      5  -0.181540D+02 -0.110925D+02 -0.966650D+02 -0.352885D+01 -0.110712D+02
      6   0.510348D+02 -0.179477D+02  0.273291D+01 -0.792535D+01  0.213882D+02
               131           132           133           134           135 
      1  -0.556703D+02  0.132358D+02 -0.312755D+02  0.216672D+02 -0.125937D+02
      2   0.633328D+02 -0.208201D+02  0.262478D+02  0.565876D+01  0.445626D+01
      3  -0.766249D+01  0.758428D+01  0.502773D+01 -0.273260D+02  0.813744D+01
      4  -0.476355D+02  0.139916D+02  0.664421D+01 -0.552515D+02  0.973425D+00
      5  -0.351470D+02  0.601561D+01 -0.129476D+02 -0.396786D+02 -0.871452D+01
      6  -0.957993D+01 -0.151345D+01  0.164215D+00 -0.148394D+00  0.495645D+00
               136           137           138           139           140 
      1   0.140040D+03 -0.140388D+03  0.389128D+02 -0.386515D+02  0.617362D+02
      2  -0.802349D+02  0.569838D+02 -0.169905D+02  0.304304D+02 -0.882614D+02
      3  -0.598049D+02  0.834040D+02 -0.219223D+02  0.822107D+01  0.265252D+02
      4  -0.104886D+02  0.131968D+03 -0.735839D+01  0.604056D+02  0.749833D+02
      5   0.880443D+01  0.992784D+02 -0.330987D+01  0.182131D+02  0.515266D+02
      6   0.784741D+01  0.198590D+01  0.848659D+01  0.226351D+02 -0.139328D+01
               141           142           143           144           145 
      1  -0.178712D+01  0.615169D+01 -0.262991D+02  0.204895D+02  0.326766D+02
      2   0.247487D+01 -0.602382D+01 -0.448469D+01 -0.244986D+02  0.503033D+01
      3  -0.687747D+00 -0.127865D+00  0.307838D+02  0.400906D+01 -0.377069D+02
      4   0.237344D+02  0.108280D+02  0.602974D+02  0.138912D+02  0.524405D+02
      5   0.881982D+01  0.314543D+02  0.514936D+02  0.130459D+02 -0.131541D+02
      6   0.744313D+01  0.180433D+02  0.127820D+01  0.803705D+00  0.175568D+02
               146           147           148           149           150 
      1  -0.286686D+02  0.586109D+01 -0.714304D+01  0.253918D+02 -0.352158D+02
      2   0.136676D+02  0.371551D+00 -0.127140D+02  0.403314D+02  0.258455D+02
      3   0.150010D+02 -0.623264D+01  0.198570D+02 -0.657232D+02  0.937032D+01
      4   0.483405D+02  0.245163D+02 -0.621838D+02 -0.120446D+03 -0.422956D+02
      5   0.165267D+02  0.899541D+01 -0.361447D+02 -0.844173D+02 -0.258594D+02
      6   0.104861D+02  0.188154D+02 -0.477066D+02 -0.621658D+01 -0.262623D+02
               151           152           153           154           155 
      1  -0.246138D+02 -0.154692D+02  0.673825D+01 -0.483491D+02  0.157429D+02
      2  -0.120787D+02  0.246606D+02 -0.217632D+02 -0.931016D+01  0.469580D+02
      3   0.366925D+02 -0.919142D+01  0.150250D+02  0.576592D+02 -0.627009D+02
      4  -0.411552D+02 -0.261680D+02  0.450231D+01 -0.785817D+02 -0.412756D+02
      5   0.243288D+02 -0.215264D+02  0.242741D+02 -0.205623D+02 -0.548410D+02
      6   0.766860D+01  0.284416D+01  0.824308D+01 -0.537760D+02 -0.138136D+01
               156           157           158           159           160 
      1  -0.447867D+02  0.543619D+02 -0.114136D+02  0.394477D+02 -0.225671D+01
      2   0.179244D+02 -0.214408D+02 -0.148092D+01 -0.293720D+02 -0.224813D+02
      3   0.268623D+02 -0.329210D+02  0.128945D+02 -0.100757D+02  0.247380D+02
      4  -0.611329D+02  0.653656D+02  0.715996D+02  0.141371D+02 -0.309532D+02
      5  -0.246760D+02  0.187457D+02  0.263820D+02  0.134959D+02  0.539336D+01
      6  -0.383686D+02  0.176193D+02 -0.133324D+02  0.799094D+01 -0.161296D+02
               161           162           163           164           165 
      1  -0.124839D+02 -0.310440D+02 -0.934405D+02 -0.851024D+02 -0.282593D+01
      2  -0.147212D+02 -0.452340D+01  0.626087D+02  0.982245D+02  0.419094D+01
      3   0.272051D+02  0.355674D+02  0.308318D+02 -0.131221D+02 -0.136502D+01
      4  -0.286529D+02 -0.171727D+01  0.609487D+02 -0.147077D+02 -0.145657D+02
      5   0.150092D+02  0.138304D+02 -0.554078D+02 -0.624185D+02 -0.164633D+01
      6   0.243361D+02  0.448832D+01 -0.920971D+01  0.278244D+02  0.306307D+01
               166           167           168           169           170 
      1   0.827007D+02  0.466926D+02  0.137795D+01  0.249284D+02  0.116344D+02
      2  -0.621106D+02 -0.957435D+02  0.413043D+01 -0.204134D+02 -0.203918D+02
      3  -0.205901D+02  0.490508D+02 -0.550838D+01 -0.451502D+01  0.875747D+01
      4  -0.190594D+02  0.884948D+02 -0.103754D+02 -0.154220D+01  0.280929D+02
      5   0.351796D+02  0.779638D+02 -0.499558D+01  0.561337D+01  0.283847D+02
      6  -0.188068D+02 -0.109975D+02 -0.251881D+01 -0.739815D+00 -0.293095D+01
               171           172           173           174           175 
      1  -0.747792D+01  0.138639D+03  0.254259D+02 -0.567994D+01 -0.501381D+02
      2  -0.286668D+01 -0.877079D+02 -0.332344D+02  0.101763D+02  0.437753D+02
      3   0.103446D+02 -0.509309D+02  0.780845D+01 -0.449635D+01  0.636283D+01
      4   0.187217D+01 -0.837231D+02 -0.953473D+01 -0.637254D+01  0.208887D+01
      5   0.314281D+01  0.481802D+02  0.468174D+02 -0.709567D+01 -0.558160D+02
      6  -0.377568D+01 -0.166110D+02 -0.733129D+01 -0.390861D+01  0.239219D+01
               176           177           178           179           180 
      1  -0.103788D+03 -0.573519D+01  0.308206D+01 -0.250731D+02 -0.165484D+01
      2   0.167037D+03  0.109576D+02  0.720728D+01  0.427946D+02  0.160821D+01
      3  -0.632495D+02 -0.522242D+01 -0.102893D+02 -0.177215D+02  0.466302D-01
      4  -0.103612D+03 -0.699341D+01 -0.837026D+01 -0.233370D+02 -0.190021D+02
      5  -0.111051D+03 -0.456421D+00  0.197516D+01 -0.415771D+02 -0.106236D+02
      6   0.446587D+02  0.319158D+01 -0.138656D+02  0.268581D+02  0.481574D+00
               181           182           183           184           185 
      1  -0.792824D+02  0.576353D+01  0.388056D+01 -0.145760D+03  0.328910D+02
      2   0.433175D+02 -0.135259D+02 -0.704401D+01  0.102272D+03 -0.230971D+02
      3   0.359649D+02  0.776233D+01  0.316345D+01  0.434882D+02 -0.979389D+01
      4   0.557412D+02  0.208513D+02  0.136922D+02  0.462806D+02 -0.274134D+02
      5  -0.293648D+02 -0.110914D+02  0.122185D+02 -0.378177D+02 -0.222078D+02
      6   0.168712D+02 -0.542847D+01 -0.178649D+01  0.250174D+02 -0.103801D+02
               186           187           188           189           190 
      1  -0.162874D+02 -0.735095D+02  0.271020D+02  0.176696D+02 -0.385600D+01
      2   0.655865D+01  0.513287D+02 -0.265182D+02 -0.144614D+02 -0.344669D+00
      3   0.972875D+01  0.221808D+02 -0.583773D+00 -0.320812D+01  0.420067D+01
      4   0.304832D+02  0.158226D+02  0.137537D+02 -0.194945D+02 -0.241005D+01
      5  -0.780703D+01  0.297326D+02 -0.530363D+02 -0.142853D+02 -0.116272D+02
      6   0.985886D+01 -0.515205D+01  0.181880D+02 -0.202290D+01  0.196073D+01
               191           192           193           194           195 
      1   0.479478D+02 -0.224945D+02  0.163003D+03 -0.102599D+03 -0.202485D+00
      2  -0.402753D+02  0.121609D+02 -0.100519D+03  0.719648D+02  0.103773D+02
      3  -0.767243D+01  0.103336D+02 -0.624842D+02  0.306342D+02 -0.101748D+02
      4   0.153339D+02  0.583480D+01 -0.791045D+02  0.564822D+02 -0.264268D+02
      5  -0.335233D+01  0.100891D+02 -0.138284D+02  0.446292D+02 -0.485667D+01
      6  -0.168141D+01  0.172008D+01 -0.170470D+02  0.602707D+01 -0.167062D+01
               196           197           198           199           200 
      1   0.955770D+01 -0.328273D+02  0.240079D+02  0.392270D+02  0.509390D+02
      2  -0.131057D+02  0.202340D+02 -0.244114D+02 -0.403247D+02 -0.503262D+02
      3   0.354798D+01  0.125933D+02  0.403486D+00  0.109773D+01 -0.612771D+00
      4  -0.453990D+02  0.668530D+01 -0.933397D+01 -0.306469D+02 -0.115623D+02
      5   0.505381D+02  0.248691D+02  0.225943D+02  0.250742D+02  0.351164D+02
      6  -0.157782D+02  0.118272D+01 -0.116357D+02  0.773147D+01 -0.180618D+02
               201           202           203           204           205 
      1  -0.458265D+01 -0.873925D+00  0.292653D+02  0.919287D+01  0.165068D+01
      2  -0.856816D+00  0.242942D+02 -0.410962D+02 -0.172545D+02  0.113126D+02
      3   0.543946D+01 -0.234202D+02  0.118309D+02  0.806165D+01 -0.129633D+02
      4   0.121151D+02 -0.133926D+03 -0.288626D+02  0.300416D+02 -0.541577D+02
      5   0.481813D+01  0.483335D+02  0.103295D+02 -0.107686D+02  0.220515D+02
      6  -0.581903D+01  0.253687D+02 -0.747631D+01 -0.551033D+01  0.101893D+02
               206           207           208           209           210 
      1   0.790097D+01  0.369263D+01  0.934114D+01  0.116050D+03  0.165617D+02
      2  -0.759961D+01 -0.124795D+02 -0.131222D+02 -0.146915D+03 -0.142130D+02
      3  -0.301365D+00  0.878684D+01  0.378107D+01  0.308654D+02 -0.234869D+01
      4  -0.611192D+01  0.898431D+01 -0.488478D+02  0.306378D+02  0.211827D+02
      5   0.544274D+00 -0.497675D+00  0.487653D+02  0.562994D+02  0.761891D+01
      6  -0.604077D+00 -0.710309D+01  0.443356D+01 -0.394029D+02 -0.210233D+02
               211           212           213           214           215 
      1   0.142786D+02  0.786371D+02  0.419972D+01 -0.670992D+01  0.228411D+02
      2  -0.283635D+02 -0.120460D+03 -0.880340D+01  0.203922D+02 -0.426009D+02
      3   0.140849D+02  0.418232D+02  0.460368D+01 -0.136823D+02  0.197598D+02
      4   0.370967D+01  0.549292D+02  0.233848D+02 -0.324963D+01  0.257708D+02
      5   0.270427D+02  0.808266D+02  0.281683D+01  0.368331D+02  0.122094D+02
      6   0.146165D+02 -0.447468D+02 -0.425974D+01 -0.386947D+02  0.478094D+01
               216           217           218           219           220 
      1  -0.332669D+01  0.167207D+02 -0.855645D+02 -0.133339D+02 -0.230178D+02
      2  -0.250903D+01 -0.292264D+02  0.114663D+03  0.177347D+02  0.263218D+02
      3   0.583572D+01  0.125057D+02 -0.290987D+02 -0.440080D+01 -0.330394D+01
      4  -0.269540D+02  0.117298D+03 -0.436394D+02 -0.428748D+02 -0.119601D+02
      5  -0.954490D+01 -0.582802D+02 -0.624211D+02 -0.265024D+01  0.142575D+02
      6   0.963522D+01 -0.223328D+02  0.345988D+02  0.199628D+02  0.266338D+01
               221           222           223           224           225 
      1  -0.173363D+02  0.167392D+02 -0.123772D+02  0.816038D+01 -0.258294D+02
      2   0.298688D+02 -0.236716D+02  0.535050D+01 -0.350687D+02  0.156413D+02
      3  -0.125325D+02  0.693245D+01  0.702666D+01  0.269083D+02  0.101881D+02
      4  -0.284658D+02  0.537790D+01 -0.107194D+02 -0.764030D+00  0.337345D+01
      5  -0.709410D+01 -0.476573D+01  0.467046D+01 -0.155691D+02 -0.112029D+02
      6  -0.203800D+02  0.265866D+00  0.219882D+02  0.458662D+02  0.168278D+02
               226           227           228           229           230 
      1  -0.689138D+02  0.968247D+01  0.124231D+02  0.116851D+02 -0.453736D+02
      2   0.655456D+02 -0.105551D+02 -0.143438D+02 -0.351101D+02  0.629545D+02
      3   0.336816D+01  0.872645D+00  0.192077D+01  0.234250D+02 -0.175809D+02
      4  -0.231138D+02  0.382696D+02  0.248620D+02  0.138498D+03  0.273347D+02
      5   0.182701D+02  0.113689D+02 -0.631998D+01 -0.596935D+02 -0.193602D+02
      6   0.154457D+02 -0.522611D+01 -0.477375D+01 -0.289996D+02  0.111379D+02
               231           232           233           234           235 
      1  -0.603669D+01  0.110573D+02 -0.528089D+01 -0.189774D+02  0.520759D+02
      2   0.241284D+02 -0.177456D+02  0.832935D+01  0.172201D+02 -0.448348D+02
      3  -0.180917D+02  0.668837D+01 -0.304846D+01  0.175729D+01 -0.724109D+01
      4  -0.326348D+02  0.488619D+02  0.829357D+01 -0.136021D+02 -0.322520D+02
      5   0.114855D+02 -0.239053D+02 -0.460741D+01  0.835037D+01 -0.453444D+01
      6   0.941769D+01 -0.126137D+02  0.162626D+02  0.851082D+01 -0.185272D+01
               236           237           238           239           240 
      1  -0.160329D+01 -0.145641D+02 -0.451959D+01  0.394968D+01  0.150026D+02
      2  -0.132720D+02  0.720772D+01  0.802458D+01  0.316586D+01 -0.195165D+02
      3   0.148753D+02  0.735634D+01 -0.350499D+01 -0.711554D+01  0.451389D+01
      4  -0.644612D+02 -0.137391D+02  0.304213D+02  0.167659D+02 -0.918993D+01
      5  -0.100795D+02 -0.181086D+01  0.327801D+01 -0.833854D+01 -0.147364D+01
      6   0.955888D+01  0.160706D+01 -0.787302D+01 -0.233943D+02  0.259613D+01
               241           242           243           244           245 
      1  -0.102070D+02  0.191495D+02 -0.995732D+01 -0.617867D+01 -0.276269D+02
      2   0.720251D+01 -0.255313D+02  0.915551D+01 -0.252279D+01  0.369628D+02
      3   0.300450D+01  0.638183D+01  0.801811D+00  0.870146D+01 -0.933588D+01
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      6  -0.910460D+00  0.163409D+01  0.145751D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Jul 24 22:51:25 2021, MaxMem= 16106127360 cpu:          311421.8 elap:           19487.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -483.06629 -62.64515 -56.45330 -56.44969 -56.44963
 Alpha  occ. eigenvalues --  -10.35948 -10.32683 -10.32647 -10.32525 -10.32331
 Alpha  occ. eigenvalues --  -10.32133 -10.32048 -10.31997 -10.31825 -10.31617
 Alpha  occ. eigenvalues --  -10.31577 -10.31460 -10.31330 -10.31201 -10.31159
 Alpha  occ. eigenvalues --  -10.31139 -10.31125 -10.31032 -10.30983 -10.30900
 Alpha  occ. eigenvalues --  -10.30729 -10.30652 -10.30349 -10.30271 -10.30187
 Alpha  occ. eigenvalues --  -10.30075  -8.81263  -6.63787  -6.62508  -6.62484
 Alpha  occ. eigenvalues --   -2.74163  -2.73792  -2.73774  -2.72754  -2.72753
 Alpha  occ. eigenvalues --   -1.00342  -0.98460  -0.96856  -0.94736  -0.92577
 Alpha  occ. eigenvalues --   -0.90382  -0.89632  -0.88279  -0.86471  -0.85163
 Alpha  occ. eigenvalues --   -0.83779  -0.82706  -0.81184  -0.80584  -0.74445
 Alpha  occ. eigenvalues --   -0.73923  -0.71854  -0.71370  -0.70892  -0.69885
 Alpha  occ. eigenvalues --   -0.67299  -0.65488  -0.63311  -0.62607  -0.61098
 Alpha  occ. eigenvalues --   -0.60298  -0.59346  -0.58211  -0.56669  -0.55708
 Alpha  occ. eigenvalues --   -0.54660  -0.54299  -0.53487  -0.52937  -0.52358
 Alpha  occ. eigenvalues --   -0.52016  -0.51506  -0.51371  -0.50546  -0.50105
 Alpha  occ. eigenvalues --   -0.49703  -0.48356  -0.47344  -0.47301  -0.46366
 Alpha  occ. eigenvalues --   -0.45791  -0.45454  -0.44796  -0.43577  -0.42993
 Alpha  occ. eigenvalues --   -0.42321  -0.41335  -0.40962  -0.39763  -0.38153
 Alpha  occ. eigenvalues --   -0.37883  -0.36968  -0.36671  -0.33814  -0.31015
 Alpha  occ. eigenvalues --   -0.30764  -0.28297  -0.28168
 Alpha virt. eigenvalues --   -0.01231  -0.00447   0.02272   0.02522   0.06038
 Alpha virt. eigenvalues --    0.06542   0.07456   0.08112   0.08915   0.09001
 Alpha virt. eigenvalues --    0.09462   0.10037   0.10448   0.10760   0.10864
 Alpha virt. eigenvalues --    0.11431   0.12474   0.12731   0.13148   0.13494
 Alpha virt. eigenvalues --    0.13638   0.14239   0.14577   0.15028   0.15491
 Alpha virt. eigenvalues --    0.15629   0.16523   0.17108   0.17327   0.17967
 Alpha virt. eigenvalues --    0.18383   0.18823   0.18933   0.19468   0.20427
 Alpha virt. eigenvalues --    0.20943   0.21359   0.21532   0.22233   0.22609
 Alpha virt. eigenvalues --    0.22788   0.22928   0.23076   0.23338   0.24049
 Alpha virt. eigenvalues --    0.24513   0.24862   0.25149   0.25359   0.25676
 Alpha virt. eigenvalues --    0.26089   0.26561   0.26715   0.27038   0.27295
 Alpha virt. eigenvalues --    0.27711   0.27973   0.28810   0.28977   0.29138
 Alpha virt. eigenvalues --    0.29572   0.29974   0.30170   0.30513   0.30663
 Alpha virt. eigenvalues --    0.31070   0.31758   0.31966   0.32038   0.32567
 Alpha virt. eigenvalues --    0.32799   0.32934   0.33231   0.33719   0.33820
 Alpha virt. eigenvalues --    0.34004   0.34497   0.34572   0.34676   0.34947
 Alpha virt. eigenvalues --    0.35248   0.35410   0.35748   0.36119   0.36275
 Alpha virt. eigenvalues --    0.36413   0.36907   0.37237   0.37715   0.37776
 Alpha virt. eigenvalues --    0.38102   0.38329   0.38657   0.38855   0.38988
 Alpha virt. eigenvalues --    0.39466   0.39969   0.40277   0.40530   0.40907
 Alpha virt. eigenvalues --    0.40972   0.41350   0.41491   0.42047   0.42320
 Alpha virt. eigenvalues --    0.42752   0.43029   0.43114   0.43392   0.43592
 Alpha virt. eigenvalues --    0.43664   0.43872   0.44168   0.44417   0.44547
 Alpha virt. eigenvalues --    0.45104   0.45317   0.45531   0.45653   0.45912
 Alpha virt. eigenvalues --    0.46202   0.46611   0.46868   0.47046   0.47359
 Alpha virt. eigenvalues --    0.47471   0.47630   0.47844   0.48024   0.48125
 Alpha virt. eigenvalues --    0.48499   0.48789   0.48867   0.49189   0.49605
 Alpha virt. eigenvalues --    0.49902   0.50183   0.50376   0.50645   0.50715
 Alpha virt. eigenvalues --    0.50823   0.51051   0.51441   0.51507   0.51874
 Alpha virt. eigenvalues --    0.52168   0.52305   0.52514   0.52894   0.53437
 Alpha virt. eigenvalues --    0.53696   0.54196   0.54219   0.54687   0.55107
 Alpha virt. eigenvalues --    0.55207   0.55275   0.55529   0.56053   0.56303
 Alpha virt. eigenvalues --    0.56402   0.56695   0.56775   0.57304   0.57670
 Alpha virt. eigenvalues --    0.58362   0.58775   0.58952   0.59152   0.59613
 Alpha virt. eigenvalues --    0.59986   0.60188   0.60725   0.61402   0.62042
 Alpha virt. eigenvalues --    0.62455   0.62500   0.63104   0.63401   0.63545
 Alpha virt. eigenvalues --    0.63724   0.64066   0.64889   0.64970   0.65804
 Alpha virt. eigenvalues --    0.66076   0.66231   0.66684   0.67086   0.67629
 Alpha virt. eigenvalues --    0.67648   0.67828   0.68180   0.69027   0.69314
 Alpha virt. eigenvalues --    0.69530   0.69731   0.69880   0.70597   0.70826
 Alpha virt. eigenvalues --    0.71446   0.71997   0.72150   0.72393   0.72642
 Alpha virt. eigenvalues --    0.73516   0.73632   0.74196   0.74523   0.74809
 Alpha virt. eigenvalues --    0.75148   0.75606   0.76041   0.76129   0.76650
 Alpha virt. eigenvalues --    0.77021   0.77064   0.77374   0.77921   0.78056
 Alpha virt. eigenvalues --    0.79056   0.79393   0.79441   0.80353   0.80598
 Alpha virt. eigenvalues --    0.81115   0.81536   0.81645   0.82726   0.83266
 Alpha virt. eigenvalues --    0.83556   0.83816   0.84056   0.84325   0.84756
 Alpha virt. eigenvalues --    0.85049   0.85378   0.85712   0.86191   0.86400
 Alpha virt. eigenvalues --    0.86691   0.86983   0.88061   0.88706   0.89033
 Alpha virt. eigenvalues --    0.89281   0.89658   0.90528   0.90752   0.90941
 Alpha virt. eigenvalues --    0.92142   0.92166   0.92950   0.93382   0.93746
 Alpha virt. eigenvalues --    0.93957   0.94582   0.94791   0.95012   0.95700
 Alpha virt. eigenvalues --    0.95981   0.96305   0.96980   0.97366   0.97594
 Alpha virt. eigenvalues --    0.97968   0.98573   0.99378   0.99796   1.00232
 Alpha virt. eigenvalues --    1.00466   1.00751   1.01365   1.01876   1.02730
 Alpha virt. eigenvalues --    1.03628   1.04000   1.04551   1.05345   1.05808
 Alpha virt. eigenvalues --    1.06227   1.06408   1.07382   1.07562   1.08110
 Alpha virt. eigenvalues --    1.08734   1.09083   1.09325   1.09435   1.09888
 Alpha virt. eigenvalues --    1.10171   1.11252   1.11617   1.12318   1.13126
 Alpha virt. eigenvalues --    1.13435   1.14124   1.15424   1.15836   1.16089
 Alpha virt. eigenvalues --    1.16558   1.17421   1.17838   1.18241   1.18529
 Alpha virt. eigenvalues --    1.18758   1.19362   1.19961   1.20144   1.20959
 Alpha virt. eigenvalues --    1.21320   1.21943   1.22509   1.23383   1.23797
 Alpha virt. eigenvalues --    1.24053   1.24460   1.24756   1.25387   1.26187
 Alpha virt. eigenvalues --    1.26322   1.26417   1.27324   1.27739   1.28102
 Alpha virt. eigenvalues --    1.28426   1.28480   1.28949   1.29609   1.30061
 Alpha virt. eigenvalues --    1.30866   1.31491   1.32573   1.32756   1.33645
 Alpha virt. eigenvalues --    1.33794   1.34797   1.35040   1.35302   1.35539
 Alpha virt. eigenvalues --    1.36060   1.36804   1.37241   1.38213   1.38651
 Alpha virt. eigenvalues --    1.38908   1.39709   1.40358   1.40741   1.41574
 Alpha virt. eigenvalues --    1.42907   1.42996   1.43785   1.44709   1.45331
 Alpha virt. eigenvalues --    1.45917   1.46565   1.46873   1.47231   1.48356
 Alpha virt. eigenvalues --    1.49183   1.49354   1.49833   1.50531   1.51320
 Alpha virt. eigenvalues --    1.53000   1.53194   1.53410   1.54136   1.55963
 Alpha virt. eigenvalues --    1.56318   1.57595   1.58119   1.58708   1.59137
 Alpha virt. eigenvalues --    1.59721   1.60334   1.60985   1.61518   1.62636
 Alpha virt. eigenvalues --    1.63406   1.63727   1.64886   1.65199   1.67132
 Alpha virt. eigenvalues --    1.67193   1.67738   1.67998   1.69214   1.69754
 Alpha virt. eigenvalues --    1.69883   1.70541   1.70655   1.71343   1.72229
 Alpha virt. eigenvalues --    1.72861   1.73539   1.74750   1.75991   1.76205
 Alpha virt. eigenvalues --    1.76711   1.78271   1.78977   1.79801   1.80796
 Alpha virt. eigenvalues --    1.82375   1.83100   1.83795   1.84590   1.85279
 Alpha virt. eigenvalues --    1.86004   1.86635   1.87333   1.88497   1.88892
 Alpha virt. eigenvalues --    1.89097   1.90931   1.91671   1.91884   1.93397
 Alpha virt. eigenvalues --    1.94031   1.94582   1.95229   1.96438   1.97329
 Alpha virt. eigenvalues --    1.97517   1.98383   1.98921   1.99607   1.99985
 Alpha virt. eigenvalues --    2.00665   2.01648   2.02212   2.02953   2.04524
 Alpha virt. eigenvalues --    2.04904   2.05377   2.06046   2.06564   2.07004
 Alpha virt. eigenvalues --    2.07901   2.08278   2.08778   2.09091   2.10200
 Alpha virt. eigenvalues --    2.10660   2.11372   2.12515   2.12640   2.14150
 Alpha virt. eigenvalues --    2.14468   2.14672   2.15214   2.15732   2.16357
 Alpha virt. eigenvalues --    2.16632   2.17905   2.18251   2.18824   2.19332
 Alpha virt. eigenvalues --    2.19737   2.20717   2.21704   2.22561   2.23118
 Alpha virt. eigenvalues --    2.23721   2.24219   2.25139   2.26571   2.28733
 Alpha virt. eigenvalues --    2.29585   2.30424   2.30907   2.31426   2.32161
 Alpha virt. eigenvalues --    2.33499   2.33732   2.33857   2.34265   2.37068
 Alpha virt. eigenvalues --    2.37119   2.37722   2.38551   2.39704   2.41633
 Alpha virt. eigenvalues --    2.42271   2.42815   2.43523   2.44808   2.45031
 Alpha virt. eigenvalues --    2.46223   2.47400   2.48120   2.49488   2.49896
 Alpha virt. eigenvalues --    2.50188   2.52779   2.53260   2.53776   2.54273
 Alpha virt. eigenvalues --    2.55686   2.56347   2.56916   2.57162   2.58092
 Alpha virt. eigenvalues --    2.59508   2.59975   2.60907   2.61477   2.62538
 Alpha virt. eigenvalues --    2.63395   2.64534   2.65521   2.66130   2.66624
 Alpha virt. eigenvalues --    2.66849   2.67112   2.67917   2.68844   2.69910
 Alpha virt. eigenvalues --    2.70965   2.73766   2.75239   2.76695   2.77817
 Alpha virt. eigenvalues --    2.79882   2.80572   2.89078   2.89163   2.89910
 Alpha virt. eigenvalues --    2.91537   2.92974   2.93242   2.94238   2.95540
 Alpha virt. eigenvalues --    2.96469   2.96603   2.98834   3.00187   3.02421
 Alpha virt. eigenvalues --    3.02954   3.03166   3.03713   3.04128   3.04296
 Alpha virt. eigenvalues --    3.04928   3.06677   3.07741   3.08052   3.10650
 Alpha virt. eigenvalues --    3.13504   3.15170   3.16684   3.17866   3.17955
 Alpha virt. eigenvalues --    3.18777   3.19785   3.21142   3.21961   3.22138
 Alpha virt. eigenvalues --    3.26799   3.30916   3.31486   3.33719   3.35265
 Alpha virt. eigenvalues --    3.37460   3.40226   3.59468   3.61043   3.66308
 Alpha virt. eigenvalues --    3.67633   3.73665   3.75704   3.77135   3.79858
 Alpha virt. eigenvalues --    3.81952   3.96337   4.17307
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  H    5.679896  -0.984298  -1.760149  -0.907854   0.042756   0.092650
     2  C   -0.984298  10.755312  -0.741221  -0.609841   0.742768  -0.033889
     3  C   -1.760149  -0.741221   8.486786   0.578838  -0.652055  -0.677263
     4  H   -0.907854  -0.609841   0.578838   2.734610  -0.615110  -0.712866
     5  C    0.042756   0.742768  -0.652055  -0.615110   7.460426   0.240337
     6  H    0.092650  -0.033889  -0.677263  -0.712866   0.240337   2.580221
     7  C    0.205621  -0.392533   0.635617  -0.059946  -0.240328  -0.486636
     8  H   -0.032313   0.251227   0.008482   0.081059  -1.045715  -0.671872
     9  C    0.345279  -0.469907  -0.386491   0.057509   0.480918   0.109274
    10  C   -0.011084   0.049724   0.081929  -0.012722   0.100886   0.042525
    11  C   -1.711387  -1.175244   0.516795  -0.030622  -0.497681   0.101025
    12  C   -0.098249  -1.231018   0.096455   0.007119   0.120047  -0.005534
    13  C   -0.066618   0.025560  -0.003261   0.004529   0.026011  -0.003156
    14  C    0.008590   0.029130   0.005183  -0.000525  -0.019927  -0.000218
    15  C   -0.481801  -0.394965   0.084119   0.025208   0.026619  -0.002869
    16  C    0.145430   0.141677  -0.011017  -0.001298  -0.001318   0.000056
    17  C    0.004778   0.014949  -0.000123  -0.000007  -0.000341  -0.000001
    18  C    0.001536   0.015490   0.001557  -0.000084  -0.000890   0.000064
    19  C    0.289156  -0.127189  -0.034426  -0.019405  -0.004143   0.001762
    20  C   -0.097015  -0.006185   0.002781   0.000626   0.000550  -0.000044
    21  C   -0.006138   0.001734   0.000157   0.000005   0.000012   0.000001
    22  C    0.004294   0.005627  -0.000368   0.000006  -0.000011  -0.000000
    23  C   -0.319811   0.187421   0.025997   0.000910  -0.004546  -0.000465
    24  C    0.017930  -0.005168  -0.003403  -0.000699   0.000031   0.000007
    25  C    0.005576  -0.002358  -0.002322   0.000272  -0.000202  -0.000025
    26  C    0.101214  -0.022964   0.003082   0.001017   0.000213  -0.000219
    27  C   -0.007819   0.013535   0.002883  -0.002377  -0.001178   0.000073
    28  C   -0.005719  -0.004620   0.012385   0.003215   0.001271   0.000700
    29  C   -0.006379  -0.076529  -0.010597   0.003081   0.002861  -0.003543
    30  C    0.146353   0.000453  -0.045228  -0.007050  -0.005741   0.002976
    31  H    0.003168  -0.012445   0.014869  -0.001005   0.042908   0.007089
    32  H   -0.000770  -0.011251  -0.001529   0.000036   0.000159  -0.000065
    33  H   -0.000973  -0.004258   0.000072   0.000001   0.000002  -0.000000
    34  H    0.000630   0.005933  -0.000016  -0.000003  -0.000047   0.000001
    35  H    0.002688  -0.001297   0.000032   0.000001  -0.000001   0.000000
    36  H   -0.000558   0.000980  -0.000016  -0.000000   0.000001  -0.000000
    37  H    0.000703  -0.000689  -0.000199  -0.000021   0.000001   0.000000
    38  H   -0.003507   0.002071   0.001244   0.000385  -0.000048  -0.000001
    39  H    0.003381  -0.004389  -0.000571  -0.000343   0.000057  -0.000004
    40  H   -0.000329   0.003389  -0.001149  -0.001111   0.001346   0.000373
    41  Br   0.000963  -0.010383   0.000739   0.000031  -0.000242   0.002127
    42  H    0.034623   0.135900  -0.006252  -0.000679  -0.001844   0.000191
               7          8          9         10         11         12
     1  H    0.205621  -0.032313   0.345279  -0.011084  -1.711387  -0.098249
     2  C   -0.392533   0.251227  -0.469907   0.049724  -1.175244  -1.231018
     3  C    0.635617   0.008482  -0.386491   0.081929   0.516795   0.096455
     4  H   -0.059946   0.081059   0.057509  -0.012722  -0.030622   0.007119
     5  C   -0.240328  -1.045715   0.480918   0.100886  -0.497681   0.120047
     6  H   -0.486636  -0.671872   0.109274   0.042525   0.101025  -0.005534
     7  C    8.764082  -0.117139  -1.701251  -0.829003   0.385259   0.129895
     8  H   -0.117139   3.397715  -0.694895  -0.255015   0.324917  -0.062890
     9  C   -1.701251  -0.694895  14.420900  -0.644405  -3.933370   0.501180
    10  C   -0.829003  -0.255015  -0.644405   8.308858  -0.081128  -0.821562
    11  C    0.385259   0.324917  -3.933370  -0.081128  17.160147  -4.827957
    12  C    0.129895  -0.062890   0.501180  -0.821562  -4.827957  18.179975
    13  C    0.126547   0.016063  -1.850659   0.567786   0.449572  -1.779063
    14  C    0.130974   0.058703   0.404350  -0.493439  -0.244956   0.283400
    15  C    0.012662   0.005484  -0.081573   0.123768   0.995646  -4.658163
    16  C    0.000778  -0.000109   0.036808   0.027329  -0.103101  -0.568884
    17  C   -0.000794  -0.000026   0.025019  -0.014437   0.089073  -0.577027
    18  C   -0.013334  -0.001836   0.230611   0.109802  -0.031405  -0.021639
    19  C   -0.002849  -0.001434   0.157419   0.001885  -0.950938   1.051877
    20  C    0.000087   0.000009  -0.007280   0.000428   0.169775  -0.143934
    21  C   -0.000003  -0.000001   0.000012  -0.000307  -0.003829   0.087711
    22  C   -0.000042   0.000002   0.002153  -0.000843   0.024567   0.056874
    23  C   -0.007348   0.002178  -0.165966   0.004940   0.401797  -0.985773
    24  C   -0.000008   0.000000   0.000093  -0.000030  -0.020230   0.026118
    25  C    0.000035  -0.000001   0.000207  -0.000011  -0.001278   0.003878
    26  C   -0.000362   0.000050  -0.001288   0.000159  -0.142403   0.151215
    27  C   -0.000296  -0.000010  -0.000384   0.000030  -0.010245  -0.006614
    28  C   -0.002273   0.000144   0.002497  -0.000307  -0.012702   0.005869
    29  C   -0.007911   0.001609   0.004915  -0.003298   0.042940  -0.006779
    30  C    0.035225  -0.005600   0.000133   0.001503   0.203305  -0.188006
    31  H   -0.314207  -0.279717  -0.228728  -0.061269  -0.039066   0.089868
    32  H    0.034570   0.005169  -0.051219  -0.497168   0.122199   0.158416
    33  H    0.000045   0.000001  -0.004853   0.000118  -0.010098   0.126014
    34  H   -0.001705  -0.000099   0.027334   0.030923  -0.002605  -0.050595
    35  H    0.000000   0.000000  -0.000008   0.000003   0.001177  -0.013497
    36  H    0.000000  -0.000000   0.000097  -0.000043  -0.002350   0.002570
    37  H    0.000000   0.000000  -0.000010   0.000000  -0.001319   0.001397
    38  H    0.000000   0.000000   0.000006  -0.000001   0.001684  -0.001408
    39  H    0.000027  -0.000002   0.000016  -0.000001   0.001956  -0.000857
    40  H   -0.000175  -0.000017   0.000063   0.000002  -0.002306   0.000771
    41  Br   0.009648  -0.000731  -0.012721   0.001679   0.018665  -0.008254
    42  H   -0.017829   0.001631   0.096397   0.001586  -0.357935   0.337749
              13         14         15         16         17         18
     1  H   -0.066618   0.008590  -0.481801   0.145430   0.004778   0.001536
     2  C    0.025560   0.029130  -0.394965   0.141677   0.014949   0.015490
     3  C   -0.003261   0.005183   0.084119  -0.011017  -0.000123   0.001557
     4  H    0.004529  -0.000525   0.025208  -0.001298  -0.000007  -0.000084
     5  C    0.026011  -0.019927   0.026619  -0.001318  -0.000341  -0.000890
     6  H   -0.003156  -0.000218  -0.002869   0.000056  -0.000001   0.000064
     7  C    0.126547   0.130974   0.012662   0.000778  -0.000794  -0.013334
     8  H    0.016063   0.058703   0.005484  -0.000109  -0.000026  -0.001836
     9  C   -1.850659   0.404350  -0.081573   0.036808   0.025019   0.230611
    10  C    0.567786  -0.493439   0.123768   0.027329  -0.014437   0.109802
    11  C    0.449572  -0.244956   0.995646  -0.103101   0.089073  -0.031405
    12  C   -1.779063   0.283400  -4.658163  -0.568884  -0.577027  -0.021639
    13  C   13.217187  -1.474630  -0.086832  -1.659108   0.428094  -0.776525
    14  C   -1.474630   8.595831   0.060928   0.164580   0.079235  -0.907682
    15  C   -0.086832   0.060928  16.777910  -1.628146   0.104586  -0.542720
    16  C   -1.659108   0.164580  -1.628146  13.591079  -0.841913   0.396999
    17  C    0.428094   0.079235   0.104586  -0.841913   8.210802  -0.475218
    18  C   -0.776525  -0.907682  -0.542720   0.396999  -0.475218   8.338549
    19  C   -0.101696   0.024126  -4.913400  -0.662002   0.034232   0.088972
    20  C   -0.014588   0.002689   0.067592  -1.663061   0.213706   0.032072
    21  C    0.033174  -0.000808  -0.510273   0.402344   0.128132  -0.015476
    22  C    0.217989  -0.011483   0.001658  -0.762782  -0.942917   0.131650
    23  C    0.165794  -0.018697   0.826250  -0.042813   0.029964  -0.006301
    24  C    0.002301  -0.000027   0.012595   0.157571  -0.010102  -0.000588
    25  C    0.000195  -0.000023   0.108177   0.028557  -0.000791  -0.000284
    26  C   -0.006279  -0.000097   0.063629   0.052122   0.001533  -0.000471
    27  C    0.000297  -0.000009   0.018095   0.001260  -0.000023  -0.000017
    28  C    0.000346   0.000105   0.000781  -0.000661  -0.000024   0.000003
    29  C    0.002320  -0.001947   0.092543  -0.011137  -0.000698   0.000416
    30  C   -0.042901  -0.013825  -0.374070   0.151834   0.002572  -0.001773
    31  H    0.129764  -0.561693  -0.005454  -0.003288   0.000859   0.029814
    32  H   -0.543364   0.204296  -0.050400   0.023479   0.040696  -0.285182
    33  H   -0.038018   0.043197   0.176972  -0.591171   0.309361  -0.594515
    34  H   -0.320247  -0.299094   0.076530   0.071419  -0.520038   0.111016
    35  H   -0.003063   0.000017   0.105753   0.057405   0.032094  -0.000280
    36  H    0.028311  -0.001212   0.119226  -0.543985  -0.292794   0.036161
    37  H   -0.000046  -0.000001  -0.061779   0.022756  -0.001183  -0.000005
    38  H    0.000004   0.000001  -0.000302  -0.003487   0.000043   0.000002
    39  H   -0.000011   0.000001   0.001605  -0.000051   0.000001  -0.000000
    40  H   -0.000022   0.000004  -0.000898   0.000036  -0.000001   0.000001
    41  Br   0.001679   0.003006   0.004608   0.000264   0.000037  -0.000185
    42  H   -0.060640   0.019473  -0.261817   0.094035   0.000134  -0.003370
              19         20         21         22         23         24
     1  H    0.289156  -0.097015  -0.006138   0.004294  -0.319811   0.017930
     2  C   -0.127189  -0.006185   0.001734   0.005627   0.187421  -0.005168
     3  C   -0.034426   0.002781   0.000157  -0.000368   0.025997  -0.003403
     4  H   -0.019405   0.000626   0.000005   0.000006   0.000910  -0.000699
     5  C   -0.004143   0.000550   0.000012  -0.000011  -0.004546   0.000031
     6  H    0.001762  -0.000044   0.000001  -0.000000  -0.000465   0.000007
     7  C   -0.002849   0.000087  -0.000003  -0.000042  -0.007348  -0.000008
     8  H   -0.001434   0.000009  -0.000001   0.000002   0.002178   0.000000
     9  C    0.157419  -0.007280   0.000012   0.002153  -0.165966   0.000093
    10  C    0.001885   0.000428  -0.000307  -0.000843   0.004940  -0.000030
    11  C   -0.950938   0.169775  -0.003829   0.024567   0.401797  -0.020230
    12  C    1.051877  -0.143934   0.087711   0.056874  -0.985773   0.026118
    13  C   -0.101696  -0.014588   0.033174   0.217989   0.165794   0.002301
    14  C    0.024126   0.002689  -0.000808  -0.011483  -0.018697  -0.000027
    15  C   -4.913400   0.067592  -0.510273   0.001658   0.826250   0.012595
    16  C   -0.662002  -1.663061   0.402344  -0.762782  -0.042813   0.157571
    17  C    0.034232   0.213706   0.128132  -0.942917   0.029964  -0.010102
    18  C    0.088972   0.032072  -0.015476   0.131650  -0.006301  -0.000588
    19  C   19.310378  -1.722116  -0.163536  -0.521990  -4.955826   0.384285
    20  C   -1.722116  13.016399  -0.764213   0.416424   0.271396  -1.373602
    21  C   -0.163536  -0.764213   8.256529  -0.435680   0.047764  -0.851244
    22  C   -0.521990   0.416424  -0.435680   8.174510   0.084660   0.061115
    23  C   -4.955826   0.271396   0.047764   0.084660  17.662358  -0.409516
    24  C    0.384285  -1.373602  -0.851244   0.061115  -0.409516   8.393716
    25  C   -0.869997   0.483424   0.074833  -0.017488   0.175788  -0.342059
    26  C   -0.084514  -1.859808   0.206672   0.021022  -3.524277   0.391021
    27  C    0.230665   0.129322  -0.006730  -0.000393   0.092114   0.103435
    28  C    0.119689   0.028298  -0.000399  -0.000184  -0.524278  -0.010266
    29  C    0.376907   0.018498  -0.000083  -0.000407   0.331444   0.000937
    30  C   -1.503784   0.115669   0.019028   0.001194  -1.420409   0.031127
    31  H   -0.001082  -0.000007   0.000003   0.000036   0.001068   0.000001
    32  H    0.001390  -0.000028  -0.000010  -0.001345  -0.000912  -0.000000
    33  H   -0.010252   0.030442   0.034093  -0.310228  -0.001315  -0.001102
    34  H   -0.011826  -0.003269  -0.000239   0.034520   0.000308   0.000008
    35  H   -0.069153  -0.292135   0.092902  -0.472332  -0.000969  -0.266056
    36  H    0.159782  -0.040801  -0.541223   0.250771  -0.011565   0.038756
    37  H    0.169728  -0.492003  -0.235170   0.032075   0.073131   0.107010
    38  H    0.078999   0.133692   0.024832   0.001115   0.076120  -0.474325
    39  H   -0.046662   0.013255  -0.000958  -0.000012   0.128843   0.034384
    40  H   -0.009017  -0.002329   0.000022   0.000000   0.165646   0.000739
    41  Br   0.003525   0.000070  -0.000116  -0.000066   0.000837   0.000121
    42  H   -0.262673  -0.052683   0.004042   0.000073  -1.447301   0.002741
              25         26         27         28         29         30
     1  H    0.005576   0.101214  -0.007819  -0.005719  -0.006379   0.146353
     2  C   -0.002358  -0.022964   0.013535  -0.004620  -0.076529   0.000453
     3  C   -0.002322   0.003082   0.002883   0.012385  -0.010597  -0.045228
     4  H    0.000272   0.001017  -0.002377   0.003215   0.003081  -0.007050
     5  C   -0.000202   0.000213  -0.001178   0.001271   0.002861  -0.005741
     6  H   -0.000025  -0.000219   0.000073   0.000700  -0.003543   0.002976
     7  C    0.000035  -0.000362  -0.000296  -0.002273  -0.007911   0.035225
     8  H   -0.000001   0.000050  -0.000010   0.000144   0.001609  -0.005600
     9  C    0.000207  -0.001288  -0.000384   0.002497   0.004915   0.000133
    10  C   -0.000011   0.000159   0.000030  -0.000307  -0.003298   0.001503
    11  C   -0.001278  -0.142403  -0.010245  -0.012702   0.042940   0.203305
    12  C    0.003878   0.151215  -0.006614   0.005869  -0.006779  -0.188006
    13  C    0.000195  -0.006279   0.000297   0.000346   0.002320  -0.042901
    14  C   -0.000023  -0.000097  -0.000009   0.000105  -0.001947  -0.013825
    15  C    0.108177   0.063629   0.018095   0.000781   0.092543  -0.374070
    16  C    0.028557   0.052122   0.001260  -0.000661  -0.011137   0.151834
    17  C   -0.000791   0.001533  -0.000023  -0.000024  -0.000698   0.002572
    18  C   -0.000284  -0.000471  -0.000017   0.000003   0.000416  -0.001773
    19  C   -0.869997  -0.084514   0.230665   0.119689   0.376907  -1.503784
    20  C    0.483424  -1.859808   0.129322   0.028298   0.018498   0.115669
    21  C    0.074833   0.206672  -0.006730  -0.000399  -0.000083   0.019028
    22  C   -0.017488   0.021022  -0.000393  -0.000184  -0.000407   0.001194
    23  C    0.175788  -3.524277   0.092114  -0.524278   0.331444  -1.420409
    24  C   -0.342059   0.391021   0.103435  -0.010266   0.000937   0.031127
    25  C    8.036767  -0.559150  -0.643654   0.023187   0.037471   0.062940
    26  C   -0.559150  15.093974  -1.887057   0.507049  -0.826352  -0.554864
    27  C   -0.643654  -1.887057   8.604682  -0.020772   0.454081  -0.228173
    28  C    0.023187   0.507049  -0.020772   8.120079  -1.632759  -0.480915
    29  C    0.037471  -0.826352   0.454081  -1.632759  13.599682  -3.065846
    30  C    0.062940  -0.554864  -0.228173  -0.480915  -3.065846  12.687392
    31  H   -0.000000   0.000017  -0.000003   0.000005   0.000706   0.001630
    32  H   -0.000000  -0.000008   0.000001  -0.000004  -0.000103  -0.000425
    33  H   -0.000025  -0.000014  -0.000000   0.000000   0.000015   0.000144
    34  H    0.000003   0.000015   0.000000  -0.000001  -0.000009   0.000141
    35  H    0.017756   0.022238  -0.000701  -0.000030  -0.000098   0.001610
    36  H    0.000498  -0.003927   0.000002   0.000003   0.000070  -0.002544
    37  H   -0.362416  -0.021323   0.009705   0.000565  -0.000579  -0.005567
    38  H   -0.244960  -0.292059  -0.164267   0.017102   0.005247  -0.020113
    39  H   -0.150816  -0.772442  -0.170230  -0.923840   0.181028   0.177900
    40  H    0.016489   0.097780  -0.676582   0.455855  -1.322327   0.178146
    41  Br  -0.001347   0.016854  -0.012454  -0.593487   1.582537  -0.544391
    42  H   -0.012778   0.351416   0.119921   0.218474  -2.505280  -0.815931
              31         32         33         34         35         36
     1  H    0.003168  -0.000770  -0.000973   0.000630   0.002688  -0.000558
     2  C   -0.012445  -0.011251  -0.004258   0.005933  -0.001297   0.000980
     3  C    0.014869  -0.001529   0.000072  -0.000016   0.000032  -0.000016
     4  H   -0.001005   0.000036   0.000001  -0.000003   0.000001  -0.000000
     5  C    0.042908   0.000159   0.000002  -0.000047  -0.000001   0.000001
     6  H    0.007089  -0.000065  -0.000000   0.000001   0.000000  -0.000000
     7  C   -0.314207   0.034570   0.000045  -0.001705   0.000000   0.000000
     8  H   -0.279717   0.005169   0.000001  -0.000099   0.000000  -0.000000
     9  C   -0.228728  -0.051219  -0.004853   0.027334  -0.000008   0.000097
    10  C   -0.061269  -0.497168   0.000118   0.030923   0.000003  -0.000043
    11  C   -0.039066   0.122199  -0.010098  -0.002605   0.001177  -0.002350
    12  C    0.089868   0.158416   0.126014  -0.050595  -0.013497   0.002570
    13  C    0.129764  -0.543364  -0.038018  -0.320247  -0.003063   0.028311
    14  C   -0.561693   0.204296   0.043197  -0.299094   0.000017  -0.001212
    15  C   -0.005454  -0.050400   0.176972   0.076530   0.105753   0.119226
    16  C   -0.003288   0.023479  -0.591171   0.071419   0.057405  -0.543985
    17  C    0.000859   0.040696   0.309361  -0.520038   0.032094  -0.292794
    18  C    0.029814  -0.285182  -0.594515   0.111016  -0.000280   0.036161
    19  C   -0.001082   0.001390  -0.010252  -0.011826  -0.069153   0.159782
    20  C   -0.000007  -0.000028   0.030442  -0.003269  -0.292135  -0.040801
    21  C    0.000003  -0.000010   0.034093  -0.000239   0.092902  -0.541223
    22  C    0.000036  -0.001345  -0.310228   0.034520  -0.472332   0.250771
    23  C    0.001068  -0.000912  -0.001315   0.000308  -0.000969  -0.011565
    24  C    0.000001  -0.000000  -0.001102   0.000008  -0.266056   0.038756
    25  C   -0.000000  -0.000000  -0.000025   0.000003   0.017756   0.000498
    26  C    0.000017  -0.000008  -0.000014   0.000015   0.022238  -0.003927
    27  C   -0.000003   0.000001  -0.000000   0.000000  -0.000701   0.000002
    28  C    0.000005  -0.000004   0.000000  -0.000001  -0.000030   0.000003
    29  C    0.000706  -0.000103   0.000015  -0.000009  -0.000098   0.000070
    30  C    0.001630  -0.000425   0.000144   0.000141   0.001610  -0.002544
    31  H    2.403689  -0.416050  -0.000068   0.003260  -0.000000   0.000001
    32  H   -0.416050   2.320675   0.007248  -0.210408   0.000001  -0.000061
    33  H   -0.000068   0.007248   2.317406  -0.454273   0.003933  -0.213054
    34  H    0.003260  -0.210408  -0.454273   2.217012  -0.000051   0.004235
    35  H   -0.000000   0.000001   0.003933  -0.000051   2.148095  -0.419429
    36  H    0.000001  -0.000061  -0.213054   0.004235  -0.419429   2.220593
    37  H    0.000000  -0.000000  -0.000051   0.000000  -0.188987   0.006371
    38  H   -0.000000   0.000000   0.000001  -0.000000   0.002543  -0.000057
    39  H   -0.000000   0.000000  -0.000000   0.000000  -0.000042   0.000000
    40  H    0.000001  -0.000000  -0.000000   0.000000   0.000000  -0.000000
    41  Br   0.001674  -0.000358   0.000039  -0.000153   0.000013  -0.000006
    42  H   -0.002359   0.000911  -0.000306   0.001911   0.000161  -0.000352
              37         38         39         40         41         42
     1  H    0.000703  -0.003507   0.003381  -0.000329   0.000963   0.034623
     2  C   -0.000689   0.002071  -0.004389   0.003389  -0.010383   0.135900
     3  C   -0.000199   0.001244  -0.000571  -0.001149   0.000739  -0.006252
     4  H   -0.000021   0.000385  -0.000343  -0.001111   0.000031  -0.000679
     5  C    0.000001  -0.000048   0.000057   0.001346  -0.000242  -0.001844
     6  H    0.000000  -0.000001  -0.000004   0.000373   0.002127   0.000191
     7  C    0.000000   0.000000   0.000027  -0.000175   0.009648  -0.017829
     8  H    0.000000   0.000000  -0.000002  -0.000017  -0.000731   0.001631
     9  C   -0.000010   0.000006   0.000016   0.000063  -0.012721   0.096397
    10  C    0.000000  -0.000001  -0.000001   0.000002   0.001679   0.001586
    11  C   -0.001319   0.001684   0.001956  -0.002306   0.018665  -0.357935
    12  C    0.001397  -0.001408  -0.000857   0.000771  -0.008254   0.337749
    13  C   -0.000046   0.000004  -0.000011  -0.000022   0.001679  -0.060640
    14  C   -0.000001   0.000001   0.000001   0.000004   0.003006   0.019473
    15  C   -0.061779  -0.000302   0.001605  -0.000898   0.004608  -0.261817
    16  C    0.022756  -0.003487  -0.000051   0.000036   0.000264   0.094035
    17  C   -0.001183   0.000043   0.000001  -0.000001   0.000037   0.000134
    18  C   -0.000005   0.000002  -0.000000   0.000001  -0.000185  -0.003370
    19  C    0.169728   0.078999  -0.046662  -0.009017   0.003525  -0.262673
    20  C   -0.492003   0.133692   0.013255  -0.002329   0.000070  -0.052683
    21  C   -0.235170   0.024832  -0.000958   0.000022  -0.000116   0.004042
    22  C    0.032075   0.001115  -0.000012   0.000000  -0.000066   0.000073
    23  C    0.073131   0.076120   0.128843   0.165646   0.000837  -1.447301
    24  C    0.107010  -0.474325   0.034384   0.000739   0.000121   0.002741
    25  C   -0.362416  -0.244960  -0.150816   0.016489  -0.001347  -0.012778
    26  C   -0.021323  -0.292059  -0.772442   0.097780   0.016854   0.351416
    27  C    0.009705  -0.164267  -0.170230  -0.676582  -0.012454   0.119921
    28  C    0.000565   0.017102  -0.923840   0.455855  -0.593487   0.218474
    29  C   -0.000579   0.005247   0.181028  -1.322327   1.582537  -2.505280
    30  C   -0.005567  -0.020113   0.177900   0.178146  -0.544391  -0.815931
    31  H    0.000000  -0.000000  -0.000000   0.000001   0.001674  -0.002359
    32  H   -0.000000   0.000000   0.000000  -0.000000  -0.000358   0.000911
    33  H   -0.000051   0.000001  -0.000000  -0.000000   0.000039  -0.000306
    34  H    0.000000  -0.000000   0.000000   0.000000  -0.000153   0.001911
    35  H   -0.188987   0.002543  -0.000042   0.000000   0.000013   0.000161
    36  H    0.006371  -0.000057   0.000000  -0.000000  -0.000006  -0.000352
    37  H    2.154869  -0.353891   0.000366   0.000007  -0.000019  -0.000137
    38  H   -0.353891   2.216876  -0.173697   0.001409  -0.000290   0.001629
    39  H    0.000366  -0.173697   3.128200  -0.560700   0.029941  -0.024382
    40  H    0.000007   0.001409  -0.560700   3.040701  -0.299447   0.065708
    41  Br  -0.000019  -0.000290   0.029941  -0.299447  35.666896  -0.344163
    42  H   -0.000137   0.001629  -0.024382   0.065708  -0.344163   5.523969
 Mulliken charges:
               1
     1  H    0.365556
     2  C   -0.060239
     3  C   -0.222347
     4  H    0.485110
     5  C   -0.198812
     6  H    0.417220
     7  C   -0.275105
     8  H    0.014977
     9  C   -0.668180
    10  C    0.270209
    11  C   -0.816342
    12  C    0.639308
    13  C   -0.612794
    14  C   -0.067525
    15  C    0.162520
    16  C   -0.468485
    17  C   -0.071445
    18  C    0.155066
    19  C    0.565131
    20  C   -0.612104
    21  C    0.122432
    22  C   -0.043766
    23  C   -0.908637
    24  C    0.002383
    25  C    0.135934
    26  C   -0.522413
    27  C    0.059885
    28  C    0.695617
    29  C   -1.256644
    30  C    1.505880
    31  H    0.196012
    32  H    0.151411
    33  H    0.185469
    34  H    0.289479
    35  H    0.239704
    36  H    0.205549
    37  H    0.146710
    38  H    0.167407
    39  H    0.129049
    40  H   -0.152077
    41  Br  -0.517139
    42  H    0.166036
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     2  C    0.305318
     3  C    0.262762
     5  C    0.218408
     7  C   -0.260128
     9  C   -0.668180
    10  C    0.466221
    11  C   -0.816342
    12  C    0.639308
    13  C   -0.612794
    14  C    0.083887
    15  C    0.162520
    16  C   -0.468485
    17  C    0.114025
    18  C    0.444546
    19  C    0.565131
    20  C   -0.612104
    21  C    0.362136
    22  C    0.161783
    23  C   -0.908637
    24  C    0.149093
    25  C    0.303341
    26  C   -0.522413
    27  C    0.188934
    28  C    0.543539
    29  C   -1.256644
    30  C    1.671915
    41  Br  -0.517139
 Electronic spatial extent (au):  <R**2>=           9165.9287
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.5370    Y=              0.5959    Z=              0.8058  Tot=              1.8349
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -155.6075   YY=           -148.5935   ZZ=           -169.6350
   XY=             -2.4089   XZ=              8.2221   YZ=              8.9306
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.3379   YY=              9.3518   ZZ=            -11.6897
   XY=             -2.4089   XZ=              8.2221   YZ=              8.9306
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             56.9786  YYY=             18.9074  ZZZ=            -36.5078  XYY=             44.2742
  XXY=              6.8955  XXZ=            -18.3854  XZZ=             50.5158  YZZ=             -0.6939
  YYZ=            -17.0995  XYZ=            -17.1312
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5232.4607 YYYY=          -4480.1696 ZZZZ=          -1611.5594 XXXY=            -41.7111
 XXXZ=            -33.7074 YYYX=            -10.7549 YYYZ=            167.8072 ZZZX=           -113.1672
 ZZZY=             23.8894 XXYY=          -1589.2130 XXZZ=          -1190.4859 YYZZ=          -1110.8367
 XXYZ=             46.1838 YYXZ=            -11.1293 ZZXY=              7.0450
 N-N= 2.775596488446D+03 E-N=-1.401321217675D+04  KE= 3.558162246532D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Jul 24 22:51:27 2021, MaxMem= 16106127360 cpu:              13.5 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-5.57213074D-01 2.19256303D-01 3.03059924D-01
 Polarizability= 4.08146991D+02-1.87080107D+01 3.73842522D+02
                 4.12699117D+01 4.43260150D+01 2.21766771D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0001    0.0000      -23.0021  -22.9931       -9.1582   -9.1606
 2     23.0022   22.9931      -21.9211  -21.9192      -17.7479  -17.7500
 3      9.1581    9.1606      102.1800  102.1757       21.9179   21.9192
 4     21.9211   21.9192       -0.0000    0.0000        9.1572    9.1606
 5    -84.4320  -84.4256       -9.1572   -9.1606      -23.0006  -22.9931
 6    -21.9178  -21.9192       23.0005   22.9931       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       68.9792   68.9792      -27.4820  -27.4818
 2     65.7576   65.7576       -0.0000    0.0000      -27.4815  -27.4818
 3     65.7575   65.7576       68.9792   68.9792        0.0000    0.0000
 4     68.9792   68.9792      -65.7574  -65.7576      -53.2501  -53.2501
 5     27.4810   27.4818      306.5270  306.5270       65.7577   65.7576
 6   -253.2769 -253.2769      -27.4825  -27.4818      -68.9792  -68.9792
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1063    0.0000       91.9587   91.9722       36.9532   36.6423
 2    -90.3189  -91.9722       87.1897   87.6768       70.5663   71.0001
 3    -38.5036  -36.6423     -407.4833 -408.7027      -86.4401  -87.6768
 4    -87.2354  -87.6768       -0.8928    0.0000      -36.7207  -36.6423
 5    338.5504  337.7026       38.8999   36.6423       92.6896   91.9722
 6     87.6695   87.6768      -92.6607  -91.9722       -0.0035    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.6348    0.0000      285.8565  282.5789      152.0157  152.3562
 2   -286.3295 -282.5789      598.5022  596.7738      547.0502  547.5743
 3   -154.4131 -152.3562     -847.3894 -857.7321     -591.8604 -596.7738
 4   -598.7084 -596.7738       -0.3882    0.0000     -151.1636 -152.3562
 5    314.2498  310.1578      165.0891  152.3562      287.8395  282.5789
 6    598.7770  596.7738     -292.3803 -282.5789       -4.1060    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1   -207.2087 -207.3749     -287.5183 -287.5035     -232.5747 -232.0639
 2   -423.6505 -421.1361     -101.9602 -107.1199     -230.4125 -232.0639
 3   -420.0145 -421.1361     -286.1280 -287.5035     -295.3987 -296.8576
 4   -178.3039 -180.3836      218.3192  213.7612      293.2497  293.6488
 5    -62.2375  -64.7937     -458.3155 -465.9735     -212.1955 -213.7612
 6    177.7877  172.3248       67.0178   64.7937      180.1031  180.3836
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0060   -0.0048    0.0025    2.3449    3.5803    4.6462
 Low frequencies ---   31.2184   49.5315   55.0044
 Diagonal vibrational polarizability:
        8.4768510       6.5698066      16.0660510
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     31.2174                49.5313                55.0043
 Red. masses --      8.8014                 6.2034                 6.2240
 Frc consts  --      0.0051                 0.0090                 0.0111
 IR Inten    --      0.0449                 0.1345                 0.0498
 RamAct Fr= 1--      6.6671                 9.4134                 7.3578
  Dep-P Fr= 1--      0.7037                 0.5434                 0.7166
  Dep-U Fr= 1--      0.8261                 0.7041                 0.8349
 Alpha2 Fr= 1--      0.0054                 0.0373                 0.0042
 Beta2  Fr= 1--      0.9180                 1.1047                 1.0238
 AlphaG Fr= 1--     -0.0761                -0.0312                 0.0243
 Gamma2 Fr= 1--     -5.6102                -4.9127                -6.1893
 Delta2 Fr= 1--     -2.3718                -0.5727                -3.2909
 Raman1 Fr= 1--      26.668                 37.653                 29.431
 ROA1   Fr= 1--    -614.479               -489.942               -699.486
 CID1   Fr= 1--     -23.042                -13.012                -23.767
 Raman2 Fr= 1--      11.015                 13.257                 12.286
 ROA2   Fr= 1--    -115.671               -113.322               -122.217
 CID2   Fr= 1--     -10.501                 -8.548                 -9.948
 Raman3 Fr= 1--      22.031                 26.513                 24.572
 ROA3   Fr= 1--    -614.479               -489.942               -699.486
 CID3   Fr= 1--     -27.892                -18.479                -28.467
 RC180  Fr= 1--       0.652                  0.408                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.05  -0.00  -0.03    -0.12   0.01   0.05     0.09   0.05  -0.08
     2   6     0.07   0.02  -0.09    -0.07   0.06   0.03     0.07   0.02  -0.08
     3   6     0.14   0.06  -0.17    -0.04   0.13   0.00     0.12   0.05  -0.14
     4   1     0.18   0.06  -0.18    -0.08   0.13   0.01     0.18   0.10  -0.19
     5   6     0.18   0.10  -0.26     0.03   0.21  -0.04     0.08   0.02  -0.13
     6   1     0.24   0.13  -0.33     0.06   0.27  -0.07     0.12   0.04  -0.18
     7   6     0.14   0.10  -0.25     0.07   0.20  -0.04    -0.01  -0.05  -0.04
     8   1     0.16   0.12  -0.31     0.13   0.25  -0.06    -0.04  -0.08  -0.02
     9   6     0.07   0.06  -0.16     0.05   0.12  -0.00    -0.06  -0.07   0.02
    10   6     0.03   0.05  -0.14     0.08   0.11   0.00    -0.15  -0.13   0.12
    11   6     0.03   0.03  -0.08    -0.01   0.07   0.02    -0.01  -0.03  -0.02
    12   6    -0.02   0.01  -0.02    -0.01   0.02   0.01    -0.04  -0.04   0.01
    13   6    -0.04   0.01  -0.00     0.03   0.01   0.02    -0.11  -0.07   0.10
    14   6    -0.02   0.02  -0.06     0.07   0.05   0.02    -0.17  -0.13   0.17
    15   6    -0.04   0.01   0.01    -0.01   0.00  -0.02    -0.01  -0.02  -0.04
    16   6    -0.05  -0.01   0.06     0.00   0.00  -0.06    -0.02   0.00  -0.04
    17   6    -0.07  -0.02   0.10     0.03  -0.01  -0.05    -0.07  -0.02   0.03
    18   6    -0.07  -0.01   0.07     0.04  -0.01  -0.01    -0.11  -0.07   0.11
    19   6    -0.04   0.01  -0.03    -0.01  -0.01  -0.01     0.00  -0.01  -0.05
    20   6    -0.04   0.02  -0.03    -0.00   0.00  -0.03     0.01  -0.00  -0.08
    21   6    -0.04   0.00   0.03     0.00   0.01  -0.09     0.01   0.03  -0.12
    22   6    -0.05  -0.01   0.07     0.01   0.02  -0.11     0.01   0.02  -0.11
    23   6    -0.04   0.02  -0.04    -0.01  -0.03   0.03     0.01  -0.02  -0.00
    24   6    -0.04   0.03  -0.06     0.02  -0.02   0.04     0.00  -0.02  -0.03
    25   6    -0.04   0.03  -0.08     0.03  -0.07   0.14    -0.00  -0.04   0.05
    26   6    -0.04   0.02  -0.06     0.02  -0.08   0.13     0.00  -0.04   0.07
    27   6    -0.03   0.01  -0.03     0.05  -0.14   0.22     0.01  -0.04   0.14
    28   6    -0.02  -0.02   0.03     0.03  -0.14   0.18     0.02  -0.02   0.13
    29   6    -0.02  -0.02   0.04    -0.01  -0.08   0.05     0.03   0.01   0.04
    30   6    -0.03   0.01  -0.01    -0.03  -0.03  -0.02     0.03   0.01  -0.01
    31   1     0.05   0.07  -0.20     0.12   0.14  -0.01    -0.19  -0.17   0.17
    32   1    -0.04   0.02  -0.04     0.11   0.03   0.03    -0.24  -0.16   0.25
    33   1    -0.09  -0.03   0.15     0.04  -0.03  -0.08    -0.07   0.00   0.03
    34   1    -0.09  -0.02   0.09     0.06  -0.02   0.00    -0.15  -0.09   0.18
    35   1    -0.04   0.01   0.03     0.00   0.02  -0.12     0.02   0.04  -0.16
    36   1    -0.06  -0.02   0.11     0.02   0.03  -0.15     0.01   0.03  -0.13
    37   1    -0.04   0.03  -0.07     0.03  -0.01   0.04    -0.00  -0.01  -0.05
    38   1    -0.04   0.04  -0.10     0.04  -0.10   0.21    -0.00  -0.05   0.10
    39   1    -0.03   0.01  -0.04     0.08  -0.18   0.31    -0.00  -0.06   0.21
    40   1    -0.01  -0.03   0.08     0.04  -0.18   0.24     0.02  -0.02   0.18
    41  35     0.01  -0.09   0.18    -0.06  -0.06  -0.06     0.06   0.10  -0.02
    42   1    -0.03   0.01  -0.01    -0.07   0.02  -0.11     0.03   0.02  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     85.2523                94.2722               105.8558
 Red. masses --      5.5643                 6.4684                 4.5085
 Frc consts  --      0.0238                 0.0339                 0.0298
 IR Inten    --      0.0303                 0.6045                 0.7770
 RamAct Fr= 1--      2.4757                 8.9493                 0.4224
  Dep-P Fr= 1--      0.7390                 0.7343                 0.7349
  Dep-U Fr= 1--      0.8499                 0.8468                 0.8472
 Alpha2 Fr= 1--      0.0005                 0.0024                 0.0001
 Beta2  Fr= 1--      0.3507                 1.2630                 0.0596
 AlphaG Fr= 1--     -0.0121                -0.0103                 0.0015
 Gamma2 Fr= 1--    -12.9780                 5.7875                 0.0271
 Delta2 Fr= 1--     -3.7005                 2.2673                -0.1213
 Raman1 Fr= 1--       9.903                 35.797                  1.690
 ROA1   Fr= 1--   -1364.304                628.150                 -1.283
 CID1   Fr= 1--    -137.768                 17.548                 -0.759
 Raman2 Fr= 1--       4.208                 15.157                  0.716
 ROA2   Fr= 1--    -281.868                120.761                  1.620
 CID2   Fr= 1--     -66.979                  7.968                  2.263
 Raman3 Fr= 1--       8.417                 30.313                  1.431
 ROA3   Fr= 1--   -1364.304                628.150                 -1.283
 CID3   Fr= 1--    -162.096                 20.722                 -0.896
 RC180  Fr= 1--       0.700                  0.694                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.14  -0.10   0.09    -0.16   0.05  -0.11     0.20   0.18  -0.21
     2   6    -0.10  -0.07   0.07    -0.13   0.07  -0.08     0.13   0.10  -0.13
     3   6    -0.14  -0.10   0.11    -0.15   0.13  -0.05     0.06   0.04  -0.05
     4   1    -0.20  -0.16   0.18    -0.19   0.14  -0.06     0.08   0.07  -0.09
     5   6    -0.09  -0.04   0.05    -0.12   0.15  -0.00    -0.05  -0.09   0.10
     6   1    -0.11  -0.07   0.09    -0.13   0.19   0.02    -0.12  -0.16   0.19
     7   6     0.01   0.03  -0.05    -0.07   0.11   0.02    -0.08  -0.10   0.12
     8   1     0.05   0.08  -0.10    -0.05   0.13   0.07    -0.16  -0.18   0.22
     9   6     0.03   0.05  -0.07    -0.05   0.06  -0.00     0.01  -0.02   0.02
    10   6     0.07   0.09  -0.15    -0.04   0.03   0.03     0.01  -0.02   0.03
    11   6    -0.03  -0.00  -0.00    -0.06   0.04  -0.06     0.08   0.06  -0.08
    12   6    -0.03  -0.00   0.01    -0.03   0.00  -0.09     0.08   0.05  -0.09
    13   6    -0.03  -0.00   0.02    -0.04  -0.02  -0.05     0.06   0.04  -0.05
    14   6     0.04   0.05  -0.09    -0.03  -0.01   0.01     0.04   0.02  -0.03
    15   6    -0.04  -0.01   0.03    -0.02  -0.01  -0.09     0.03   0.03  -0.06
    16   6    -0.06  -0.03   0.11    -0.05  -0.02   0.00     0.00  -0.02   0.05
    17   6    -0.10  -0.06   0.21    -0.05  -0.02   0.01     0.00  -0.03   0.08
    18   6    -0.09  -0.05   0.14    -0.05  -0.02  -0.02     0.03   0.00   0.01
    19   6    -0.00  -0.01  -0.03     0.01  -0.03  -0.07    -0.01   0.04  -0.10
    20   6     0.01   0.02  -0.10     0.01  -0.06   0.09    -0.02   0.02  -0.05
    21   6    -0.00   0.03  -0.06    -0.01  -0.06   0.21    -0.03  -0.03   0.06
    22   6    -0.05  -0.01   0.07    -0.05  -0.03   0.15    -0.03  -0.05   0.12
    23   6     0.02  -0.04  -0.00     0.01  -0.03  -0.11    -0.02   0.06  -0.11
    24   6     0.02   0.04  -0.18     0.03  -0.09   0.19    -0.02   0.03  -0.06
    25   6     0.02   0.01  -0.12     0.04  -0.10   0.11    -0.02   0.02  -0.03
    26   6     0.02  -0.04  -0.01     0.02  -0.06  -0.04    -0.01   0.02  -0.01
    27   6     0.03  -0.06   0.07     0.01  -0.04  -0.05     0.01  -0.05   0.14
    28   6     0.04  -0.06   0.10     0.01  -0.02  -0.07     0.02  -0.07   0.17
    29   6     0.04  -0.04   0.05     0.03  -0.02  -0.09    -0.01   0.01   0.01
    30   6     0.03  -0.04   0.02     0.02  -0.02  -0.14    -0.03   0.07  -0.13
    31   1     0.13   0.14  -0.23    -0.04   0.03   0.07    -0.03  -0.06   0.08
    32   1     0.06   0.07  -0.12    -0.01  -0.04   0.05     0.03   0.02  -0.03
    33   1    -0.14  -0.09   0.30    -0.07  -0.03   0.05    -0.02  -0.07   0.16
    34   1    -0.12  -0.06   0.18    -0.07  -0.02  -0.01     0.03  -0.01   0.04
    35   1     0.02   0.06  -0.11    -0.01  -0.09   0.34    -0.05  -0.05   0.11
    36   1    -0.06  -0.02   0.13    -0.08  -0.02   0.23    -0.05  -0.10   0.22
    37   1     0.02   0.07  -0.26     0.05  -0.12   0.33    -0.02   0.03  -0.06
    38   1     0.03   0.02  -0.16     0.06  -0.13   0.18    -0.03   0.01   0.00
    39   1     0.02  -0.06   0.09     0.01  -0.06  -0.01     0.04  -0.09   0.24
    40   1     0.04  -0.07   0.14     0.01  -0.02  -0.06     0.04  -0.13   0.30
    41  35     0.07   0.05  -0.04     0.12   0.01   0.02    -0.03  -0.01   0.00
    42   1     0.04  -0.04   0.00     0.03  -0.01  -0.15    -0.06   0.12  -0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    132.9327               171.6393               193.4434
 Red. masses --      4.7831                 5.7294                 4.7327
 Frc consts  --      0.0498                 0.0994                 0.1043
 IR Inten    --      0.4082                 0.8018                 0.7538
 RamAct Fr= 1--      0.3373                 4.2309                 3.6136
  Dep-P Fr= 1--      0.7478                 0.6963                 0.6519
  Dep-U Fr= 1--      0.8557                 0.8210                 0.7892
 Alpha2 Fr= 1--      0.0000                 0.0040                 0.0064
 Beta2  Fr= 1--      0.0481                 0.5789                 0.4753
 AlphaG Fr= 1--     -0.0025                 0.0297                -0.0653
 Gamma2 Fr= 1--     -1.2460                 1.6232                 0.7925
 Delta2 Fr= 1--     -0.5670                -0.2554                -0.9580
 Raman1 Fr= 1--       1.349                 16.924                 14.455
 ROA1   Fr= 1--    -137.756                147.653                 45.426
 CID1   Fr= 1--    -102.106                  8.725                  3.143
 Raman2 Fr= 1--       0.577                  6.947                  5.704
 ROA2   Fr= 1--     -25.367                 41.000                 26.684
 CID2   Fr= 1--     -43.946                  5.902                  4.678
 Raman3 Fr= 1--       1.154                 13.894                 11.408
 ROA3   Fr= 1--    -137.756                147.653                 45.426
 CID3   Fr= 1--    -119.325                 10.627                  3.982
 RC180  Fr= 1--       0.711                  0.642                  0.578
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.06   0.03  -0.05     0.21   0.15   0.04     0.06  -0.02   0.14
     2   6     0.04   0.01  -0.03     0.13   0.08   0.05     0.05  -0.03   0.09
     3   6    -0.03  -0.06   0.05     0.18   0.05  -0.02    -0.00  -0.16   0.17
     4   1    -0.07  -0.11   0.10     0.31   0.12  -0.10    -0.06  -0.28   0.29
     5   6    -0.05  -0.09   0.08     0.07  -0.06   0.03     0.04  -0.10   0.05
     6   1    -0.11  -0.16   0.16     0.09  -0.11   0.01     0.02  -0.17   0.08
     7   6     0.01  -0.02   0.00    -0.05  -0.09   0.09     0.11   0.04  -0.11
     8   1    -0.01  -0.04   0.01    -0.13  -0.15   0.09     0.14   0.07  -0.22
     9   6     0.06   0.04  -0.06    -0.05   0.00   0.08     0.08   0.08  -0.06
    10   6     0.06   0.04  -0.07     0.01   0.09  -0.04    -0.00   0.02   0.03
    11   6     0.06   0.04  -0.06    -0.02   0.03   0.11     0.06   0.06   0.01
    12   6     0.03   0.02  -0.04    -0.06   0.03   0.12     0.00   0.05   0.04
    13   6    -0.01  -0.02   0.06     0.01   0.08   0.01    -0.03   0.01   0.11
    14   6     0.02   0.00   0.01     0.06   0.14  -0.12    -0.08  -0.03   0.17
    15   6     0.02   0.01  -0.06    -0.10  -0.00   0.11    -0.01   0.03  -0.02
    16   6     0.02   0.01  -0.04    -0.08   0.00   0.05     0.01   0.04  -0.08
    17   6    -0.04  -0.05   0.13    -0.03   0.02  -0.00     0.04   0.07  -0.14
    18   6    -0.07  -0.08   0.19     0.03   0.08  -0.04     0.02   0.03   0.00
    19   6     0.01   0.02  -0.05    -0.08  -0.02   0.04    -0.04   0.03  -0.03
    20   6     0.01   0.01  -0.03    -0.07   0.01  -0.02    -0.05   0.01   0.04
    21   6     0.03   0.04  -0.16    -0.06   0.05  -0.11    -0.05  -0.02   0.09
    22   6     0.04   0.04  -0.17    -0.06   0.03  -0.07    -0.02   0.02  -0.02
    23   6     0.00   0.04  -0.04    -0.06  -0.08  -0.02    -0.05   0.02  -0.11
    24   6     0.01  -0.04   0.15    -0.03  -0.02   0.03    -0.04   0.01   0.01
    25   6     0.01  -0.05   0.20    -0.02  -0.09   0.07    -0.03   0.01  -0.06
    26   6     0.00   0.01   0.04    -0.05  -0.09   0.01    -0.04   0.00  -0.08
    27   6    -0.01   0.05  -0.04    -0.05  -0.10  -0.03    -0.02  -0.06   0.01
    28   6    -0.02   0.08  -0.12    -0.07  -0.09  -0.08    -0.03  -0.09   0.06
    29   6    -0.02   0.07  -0.10    -0.07  -0.09  -0.08    -0.05  -0.04  -0.06
    30   6    -0.01   0.07  -0.09    -0.08  -0.09  -0.07    -0.07   0.02  -0.17
    31   1     0.08   0.06  -0.11     0.04   0.12  -0.11    -0.02   0.01   0.04
    32   1    -0.01  -0.01   0.04     0.14   0.21  -0.26    -0.16  -0.08   0.28
    33   1    -0.07  -0.08   0.21    -0.01  -0.00  -0.05     0.08   0.09  -0.25
    34   1    -0.12  -0.14   0.32     0.10   0.10  -0.12     0.05   0.02   0.01
    35   1     0.03   0.06  -0.22    -0.04   0.08  -0.20    -0.07  -0.06   0.18
    36   1     0.06   0.06  -0.23    -0.04   0.05  -0.16    -0.01   0.01  -0.03
    37   1     0.00  -0.08   0.25    -0.01   0.01   0.04    -0.03   0.01   0.05
    38   1     0.00  -0.10   0.33     0.02  -0.11   0.12    -0.01   0.01  -0.07
    39   1    -0.01   0.04  -0.02    -0.03  -0.11  -0.02     0.01  -0.09   0.08
    40   1    -0.03   0.10  -0.17    -0.08  -0.09  -0.10    -0.01  -0.15   0.17
    41  35    -0.02  -0.02   0.03     0.09   0.01   0.00     0.03   0.01   0.00
    42   1    -0.01   0.07  -0.09    -0.09  -0.09  -0.06    -0.11   0.05  -0.23
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.5002               261.4071               272.6638
 Red. masses --      4.9411                 6.1723                 5.5048
 Frc consts  --      0.1533                 0.2485                 0.2411
 IR Inten    --      0.0428                 1.6672                 0.5831
 RamAct Fr= 1--      0.7642                 1.0943                 7.3930
  Dep-P Fr= 1--      0.6641                 0.2586                 0.1318
  Dep-U Fr= 1--      0.7982                 0.4109                 0.2329
 Alpha2 Fr= 1--      0.0012                 0.0127                 0.1196
 Beta2  Fr= 1--      0.1017                 0.0749                 0.2870
 AlphaG Fr= 1--     -0.0357                 0.1008                -0.3208
 Gamma2 Fr= 1--      0.8241                -0.3703                 7.7536
 Delta2 Fr= 1--     -0.3385                -1.1151                 0.5204
 Raman1 Fr= 1--       3.057                  4.377                 29.572
 ROA1   Fr= 1--      68.283                -71.234                761.003
 CID1   Fr= 1--      22.338                -16.274                 25.734
 Raman2 Fr= 1--       1.220                  0.899                  3.444
 ROA2   Fr= 1--      22.487                  0.033                181.924
 CID2   Fr= 1--      18.433                  0.036                 52.817
 Raman3 Fr= 1--       2.440                  1.798                  6.889
 ROA3   Fr= 1--      68.283                -71.234                761.003
 CID3   Fr= 1--      27.987                -39.609                110.470
 RC180  Fr= 1--       0.596                 -0.178                 -0.534
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.11   0.13  -0.11     0.14   0.14  -0.04    -0.09  -0.11   0.18
     2   6     0.07   0.09  -0.08     0.09   0.09  -0.05    -0.08  -0.09   0.14
     3   6     0.05   0.07  -0.06     0.02  -0.03   0.04     0.01  -0.05   0.04
     4   1     0.09   0.11  -0.11    -0.00  -0.09   0.10     0.05  -0.05   0.04
     5   6    -0.05  -0.03   0.06    -0.02  -0.07   0.05     0.09   0.04  -0.09
     6   1    -0.11  -0.10   0.13    -0.08  -0.17   0.12     0.21   0.14  -0.24
     7   6    -0.06  -0.03   0.05     0.01   0.03  -0.06    -0.00  -0.02  -0.01
     8   1    -0.11  -0.08   0.11    -0.02   0.00  -0.08     0.03   0.01  -0.08
     9   6     0.01   0.05  -0.03     0.03   0.11  -0.08    -0.08  -0.08   0.10
    10   6     0.06   0.09  -0.11    -0.05   0.04   0.04    -0.05  -0.05   0.06
    11   6     0.01   0.04  -0.03     0.05   0.12  -0.08    -0.07  -0.05   0.10
    12   6    -0.03  -0.00   0.01     0.02   0.08  -0.06     0.02   0.03  -0.00
    13   6    -0.06  -0.04   0.08    -0.00   0.06  -0.01     0.06   0.06  -0.07
    14   6     0.02   0.03  -0.02    -0.07   0.01   0.09     0.04   0.05  -0.08
    15   6    -0.00  -0.01  -0.04    -0.03   0.04  -0.05     0.03   0.04  -0.04
    16   6     0.03   0.03  -0.15    -0.06  -0.02   0.01     0.01   0.00   0.00
    17   6    -0.01   0.01  -0.06    -0.02  -0.01  -0.03    -0.02  -0.04   0.12
    18   6    -0.08  -0.07   0.13     0.02   0.04  -0.05     0.02   0.01   0.02
    19   6     0.00  -0.02   0.06    -0.04   0.02  -0.04    -0.00   0.06  -0.07
    20   6    -0.01  -0.06   0.16    -0.07  -0.00  -0.11    -0.05   0.00   0.01
    21   6    -0.01  -0.05   0.11    -0.08  -0.03  -0.03    -0.04  -0.01  -0.04
    22   6     0.03   0.04  -0.14    -0.10  -0.08   0.08     0.00  -0.01  -0.07
    23   6    -0.00  -0.01   0.03     0.01  -0.01   0.13    -0.02   0.12  -0.10
    24   6    -0.03  -0.04   0.11    -0.10  -0.02  -0.04    -0.10  -0.03   0.16
    25   6    -0.03   0.05  -0.14    -0.10  -0.04   0.10    -0.10   0.06   0.01
    26   6    -0.02   0.04  -0.11    -0.05  -0.01   0.13    -0.07   0.14  -0.12
    27   6    -0.01   0.02  -0.08    -0.06   0.06   0.01    -0.04   0.09  -0.02
    28   6     0.02  -0.05   0.12    -0.01   0.12  -0.04     0.02   0.02   0.16
    29   6     0.04  -0.08   0.17     0.09   0.02   0.12     0.06   0.03   0.08
    30   6     0.03  -0.06   0.14     0.10  -0.02   0.25     0.03   0.10  -0.02
    31   1     0.13   0.15  -0.20    -0.10  -0.01   0.13    -0.07  -0.06   0.09
    32   1     0.05   0.04  -0.06    -0.14  -0.05   0.21     0.06   0.09  -0.16
    33   1    -0.01   0.02  -0.08    -0.01  -0.03  -0.04    -0.06  -0.09   0.25
    34   1    -0.12  -0.12   0.24     0.07   0.04  -0.07     0.01  -0.01   0.07
    35   1    -0.02  -0.07   0.18    -0.09  -0.04  -0.00    -0.06  -0.03  -0.06
    36   1     0.05   0.09  -0.24    -0.12  -0.14   0.19     0.02  -0.03  -0.12
    37   1    -0.03  -0.07   0.18    -0.11  -0.02  -0.06    -0.12  -0.12   0.35
    38   1    -0.03   0.09  -0.27    -0.14  -0.05   0.16    -0.14   0.04   0.09
    39   1    -0.03   0.05  -0.16    -0.10   0.10  -0.08    -0.03   0.08  -0.00
    40   1     0.03  -0.07   0.17    -0.07   0.27  -0.18     0.02   0.00   0.33
    41  35     0.01   0.00  -0.03     0.07  -0.08  -0.06     0.06  -0.06  -0.05
    42   1     0.04  -0.07   0.16     0.14  -0.05   0.30     0.01   0.10  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    278.7402               289.9738               320.8722
 Red. masses --      5.1786                 6.6874                 4.5038
 Frc consts  --      0.2371                 0.3313                 0.2732
 IR Inten    --      0.6724                 1.4681                 0.5168
 RamAct Fr= 1--      5.0610                 3.6094                 2.9289
  Dep-P Fr= 1--      0.1968                 0.5023                 0.2985
  Dep-U Fr= 1--      0.3288                 0.6687                 0.4597
 Alpha2 Fr= 1--      0.0693                 0.0176                 0.0302
 Beta2  Fr= 1--      0.2774                 0.4023                 0.2244
 AlphaG Fr= 1--     -0.2108                -0.0496                -0.0199
 Gamma2 Fr= 1--      2.2874                 1.2170                 3.3529
 Delta2 Fr= 1--     -2.1447                 0.2045                 0.5706
 Raman1 Fr= 1--      20.244                 14.438                 11.715
 ROA1   Fr= 1--     150.959                123.374                340.138
 CID1   Fr= 1--       7.457                  8.545                 29.033
 Raman2 Fr= 1--       3.328                  4.827                  2.693
 ROA2   Fr= 1--      72.056                 27.571                 75.905
 CID2   Fr= 1--      21.649                  5.711                 28.188
 Raman3 Fr= 1--       6.657                  9.655                  5.386
 ROA3   Fr= 1--     150.959                123.374                340.138
 CID3   Fr= 1--      22.677                 12.779                 63.156
 RC180  Fr= 1--      -0.342                  0.337                 -0.081
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04   0.05   0.15    -0.10  -0.09  -0.13     0.02   0.04  -0.13
     2   6    -0.00   0.01   0.12    -0.05  -0.03  -0.09     0.02   0.03  -0.08
     3   6     0.10   0.01   0.01    -0.06   0.06  -0.08    -0.03   0.04  -0.03
     4   1     0.21   0.06  -0.04    -0.09   0.10  -0.12    -0.05   0.05  -0.04
     5   6     0.04  -0.04  -0.01    -0.07   0.04   0.00    -0.08  -0.02   0.06
     6   1     0.09  -0.05  -0.07    -0.11   0.07   0.05    -0.15  -0.07   0.15
     7   6    -0.06  -0.04   0.02    -0.01  -0.01   0.04     0.02   0.02  -0.01
     8   1    -0.09  -0.06  -0.04    -0.00  -0.01   0.14     0.04   0.03   0.03
     9   6    -0.08   0.02   0.06     0.04  -0.06  -0.03     0.06   0.01  -0.06
    10   6     0.02   0.12  -0.10     0.06  -0.04  -0.06     0.03   0.01  -0.06
    11   6    -0.10  -0.00   0.14     0.02  -0.07  -0.05     0.02  -0.03  -0.01
    12   6    -0.10  -0.03   0.12    -0.01  -0.06   0.03    -0.07  -0.09   0.11
    13   6    -0.11  -0.04   0.12    -0.02  -0.07   0.05    -0.07  -0.07   0.07
    14   6    -0.01   0.05  -0.04     0.02  -0.05  -0.00    -0.04  -0.05   0.05
    15   6     0.00  -0.02  -0.06     0.01  -0.02   0.13    -0.05  -0.06   0.18
    16   6     0.00  -0.02  -0.11     0.05   0.02   0.02    -0.06  -0.05   0.20
    17   6    -0.02  -0.00  -0.12     0.05   0.04  -0.03     0.01   0.03  -0.04
    18   6    -0.06  -0.05   0.03    -0.02  -0.04   0.05     0.02   0.05  -0.13
    19   6     0.05  -0.02  -0.11    -0.02   0.01   0.20     0.02  -0.05   0.02
    20   6     0.04  -0.05  -0.09    -0.05   0.02   0.13     0.03  -0.03  -0.03
    21   6     0.01  -0.10   0.10    -0.03   0.00   0.03     0.03   0.04  -0.13
    22   6    -0.02  -0.06   0.05     0.04   0.02  -0.06    -0.03  -0.01   0.03
    23   6     0.06   0.02  -0.05    -0.04   0.08   0.11     0.02   0.02  -0.09
    24   6     0.01  -0.04  -0.10    -0.09   0.11  -0.09     0.01  -0.07   0.08
    25   6    -0.00  -0.04   0.02    -0.11   0.14  -0.02    -0.00  -0.02   0.02
    26   6     0.04  -0.00   0.05    -0.06   0.07   0.16    -0.01   0.05  -0.13
    27   6     0.03   0.04   0.11    -0.04   0.01   0.16    -0.01   0.07  -0.05
    28   6     0.06   0.15  -0.02    -0.07   0.05  -0.03     0.06   0.04   0.13
    29   6     0.08   0.16  -0.08    -0.04   0.10  -0.18     0.08   0.07   0.05
    30   6     0.09   0.10  -0.07    -0.08   0.14  -0.09     0.06   0.07  -0.06
    31   1     0.14   0.24  -0.27     0.08  -0.02  -0.13     0.05   0.04  -0.12
    32   1     0.08   0.11  -0.16     0.02  -0.04  -0.02    -0.04  -0.06   0.07
    33   1     0.01   0.04  -0.19     0.07   0.10  -0.11     0.07   0.13  -0.24
    34   1    -0.02  -0.06   0.03    -0.07  -0.03   0.05     0.09   0.17  -0.38
    35   1     0.00  -0.14   0.28    -0.04  -0.00  -0.05     0.09   0.13  -0.30
    36   1    -0.05  -0.09   0.18     0.08   0.03  -0.18    -0.01   0.03  -0.06
    37   1    -0.00  -0.05  -0.14    -0.12   0.14  -0.32    -0.01  -0.13   0.22
    38   1    -0.04  -0.04   0.06    -0.14   0.20  -0.18    -0.02  -0.05   0.13
    39   1    -0.01   0.01   0.22     0.03  -0.04   0.26    -0.06   0.07  -0.02
    40   1     0.05   0.19  -0.01    -0.07   0.08   0.00     0.08   0.02   0.28
    41  35    -0.02  -0.02   0.00     0.10  -0.08  -0.03    -0.01  -0.01  -0.01
    42   1     0.15   0.07  -0.04    -0.15   0.16  -0.10     0.11   0.06  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    337.5360               381.6756               415.6942
 Red. masses --      4.7187                 5.2936                 6.4502
 Frc consts  --      0.3167                 0.4544                 0.6567
 IR Inten    --      0.1115                 1.5314                 0.7206
 RamAct Fr= 1--      7.3255                 2.7140                46.8153
  Dep-P Fr= 1--      0.4078                 0.5069                 0.0673
  Dep-U Fr= 1--      0.5794                 0.6727                 0.1262
 Alpha2 Fr= 1--      0.0528                 0.0130                 0.8872
 Beta2  Fr= 1--      0.7074                 0.3043                 0.9846
 AlphaG Fr= 1--      0.0615                -0.0309                -2.0733
 Gamma2 Fr= 1--      2.5396                 0.9697                21.2286
 Delta2 Fr= 1--     -1.2502                -1.4637                 6.5396
 Raman1 Fr= 1--      29.302                 10.856                187.261
 ROA1   Fr= 1--     203.794                 46.254               2247.214
 CID1   Fr= 1--       6.955                  4.261                 12.000
 Raman2 Fr= 1--       8.488                  3.652                 11.815
 ROA2   Fr= 1--      70.952                 34.983                457.170
 CID2   Fr= 1--       8.359                  9.580                 38.693
 Raman3 Fr= 1--      16.977                  7.303                 23.630
 ROA3   Fr= 1--     203.794                 46.254               2247.214
 CID3   Fr= 1--      12.004                  6.334                 95.098
 RC180  Fr= 1--       0.159                  0.345                 -0.748
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.09   0.12   0.07    -0.05  -0.16  -0.07    -0.10   0.02   0.04
     2   6     0.05   0.09   0.02     0.02  -0.11  -0.03    -0.06   0.05   0.04
     3   6     0.01  -0.03   0.07    -0.02   0.01   0.02    -0.03   0.06  -0.01
     4   1     0.00  -0.10   0.14    -0.13   0.04   0.01     0.04   0.04  -0.00
     5   6     0.01  -0.03  -0.00     0.07   0.09   0.07    -0.09   0.01  -0.08
     6   1     0.01  -0.09  -0.01     0.07   0.19   0.08    -0.08  -0.03  -0.09
     7   6    -0.01   0.05  -0.07     0.13   0.01   0.13    -0.10  -0.02  -0.05
     8   1    -0.03   0.04  -0.14     0.18   0.04   0.21    -0.11  -0.03  -0.00
     9   6    -0.06   0.09  -0.01     0.14  -0.10   0.06    -0.06   0.02  -0.07
    10   6    -0.12   0.02   0.10     0.04  -0.07   0.02    -0.09   0.04  -0.10
    11   6     0.00   0.12  -0.02     0.11  -0.09  -0.04     0.02   0.04   0.04
    12   6     0.01   0.04  -0.04     0.04  -0.01  -0.03     0.10   0.05   0.04
    13   6     0.03   0.08  -0.12    -0.01   0.03  -0.03    -0.00   0.09   0.05
    14   6    -0.03   0.05  -0.04     0.04   0.04  -0.03    -0.13   0.03  -0.00
    15   6    -0.05  -0.04   0.04    -0.01  -0.01  -0.01     0.20   0.03   0.05
    16   6    -0.05  -0.05   0.03    -0.05   0.14  -0.02     0.23   0.06   0.08
    17   6    -0.07  -0.06   0.09    -0.07   0.16  -0.00     0.11   0.15   0.09
    18   6    -0.00   0.02  -0.05    -0.09   0.12   0.05     0.03   0.12   0.06
    19   6     0.03  -0.10   0.13    -0.00  -0.05  -0.08     0.13  -0.03   0.01
    20   6     0.03  -0.13   0.17    -0.00  -0.04  -0.02     0.08  -0.09  -0.05
    21   6     0.04  -0.06  -0.00    -0.03   0.09   0.08     0.12  -0.07  -0.01
    22   6     0.01   0.01  -0.13    -0.06   0.15  -0.03     0.19  -0.06   0.02
    23   6     0.04  -0.08   0.04     0.01  -0.11  -0.08     0.05  -0.05  -0.03
    24   6     0.01  -0.08  -0.01    -0.04  -0.06  -0.04    -0.09  -0.09  -0.07
    25   6     0.01  -0.03  -0.16    -0.04  -0.11  -0.05    -0.12  -0.09   0.02
    26   6     0.02  -0.06   0.00    -0.07  -0.13  -0.04    -0.10  -0.06  -0.00
    27   6     0.01  -0.01   0.08    -0.12  -0.03   0.06    -0.14  -0.02  -0.02
    28   6     0.05   0.08   0.02    -0.04   0.11   0.01    -0.13  -0.03   0.03
    29   6     0.05   0.13  -0.10     0.06   0.08   0.00    -0.02  -0.06   0.01
    30   6     0.07   0.05  -0.07     0.10  -0.05   0.01     0.01  -0.08  -0.05
    31   1    -0.19  -0.05   0.27    -0.03  -0.14  -0.03    -0.09   0.04  -0.14
    32   1    -0.03   0.01   0.01     0.06   0.06  -0.07    -0.24   0.04   0.02
    33   1    -0.11  -0.12   0.19    -0.07   0.16  -0.01     0.08   0.27   0.13
    34   1     0.03   0.00  -0.03    -0.19   0.11   0.10    -0.00   0.13   0.06
    35   1     0.09   0.02  -0.12     0.03   0.13   0.20     0.12  -0.07  -0.01
    36   1     0.05   0.12  -0.33    -0.05   0.17  -0.07     0.22  -0.17   0.00
    37   1     0.01  -0.05  -0.13    -0.04  -0.06  -0.05    -0.15  -0.16  -0.14
    38   1    -0.01   0.05  -0.38     0.01  -0.12  -0.07    -0.13  -0.10   0.06
    39   1    -0.05  -0.03   0.17    -0.24  -0.04   0.15    -0.16  -0.00  -0.06
    40   1     0.05   0.10   0.08    -0.08   0.22   0.04    -0.15   0.02   0.04
    41  35    -0.02  -0.01   0.01    -0.01  -0.01  -0.00    -0.01  -0.00  -0.00
    42   1     0.15   0.04  -0.08     0.24  -0.10   0.05    -0.01  -0.06  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    429.2723               437.9534               443.7107
 Red. masses --      3.9897                 3.6532                 5.3199
 Frc consts  --      0.4332                 0.4128                 0.6171
 IR Inten    --      0.4676                 2.8741                 1.6001
 RamAct Fr= 1--      7.2407                 1.9034                 2.2300
  Dep-P Fr= 1--      0.4665                 0.7444                 0.6411
  Dep-U Fr= 1--      0.6362                 0.8534                 0.7813
 Alpha2 Fr= 1--      0.0415                 0.0002                 0.0044
 Beta2  Fr= 1--      0.7677                 0.2707                 0.2904
 AlphaG Fr= 1--      0.0302                 0.0238                -0.0367
 Gamma2 Fr= 1--      0.3222                -0.5193                -2.5713
 Delta2 Fr= 1--     -0.5458                -0.5779                -2.0919
 Raman1 Fr= 1--      28.963                  7.614                  8.920
 ROA1   Fr= 1--      13.462                -68.351               -313.782
 CID1   Fr= 1--       0.465                 -8.978                -35.178
 Raman2 Fr= 1--       9.213                  3.249                  3.484
 ROA2   Fr= 1--      12.098                 -7.841                -44.975
 CID2   Fr= 1--       1.313                 -2.413                -12.907
 Raman3 Fr= 1--      18.426                  6.498                  6.969
 ROA3   Fr= 1--      13.462                -68.351               -313.782
 CID3   Fr= 1--       0.731                -10.519                -45.026
 RC180  Fr= 1--       0.272                  0.707                  0.563
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.24  -0.21   0.22     0.14   0.20  -0.22    -0.06  -0.08  -0.12
     2   6    -0.14  -0.10   0.10     0.04   0.09  -0.09    -0.00  -0.02  -0.06
     3   6     0.03   0.02  -0.11    -0.05  -0.02   0.00    -0.08   0.01   0.01
     4   1     0.13   0.06  -0.16    -0.03  -0.03   0.01    -0.15  -0.01   0.04
     5   6    -0.01  -0.02  -0.10    -0.09  -0.05  -0.01    -0.03   0.06  -0.02
     6   1    -0.01  -0.02  -0.10    -0.10  -0.07   0.00    -0.03   0.12  -0.03
     7   6    -0.13  -0.13   0.05     0.02   0.05  -0.13     0.03  -0.00   0.01
     8   1    -0.28  -0.27   0.20     0.13   0.16  -0.25     0.09   0.04   0.08
     9   6     0.02   0.06  -0.09    -0.07  -0.05   0.01     0.04  -0.10  -0.00
    10   6     0.10   0.04  -0.06     0.00  -0.07   0.02    -0.07  -0.08  -0.03
    11   6    -0.01   0.04  -0.03    -0.06  -0.04   0.06     0.09  -0.04  -0.03
    12   6     0.04   0.08  -0.05    -0.03  -0.02   0.09     0.03   0.07   0.08
    13   6     0.09   0.03   0.05     0.05  -0.02   0.05    -0.02   0.12   0.08
    14   6    -0.01  -0.06   0.15     0.04  -0.02  -0.04    -0.06   0.12  -0.05
    15   6    -0.04   0.05  -0.01     0.01   0.02   0.03     0.01   0.05   0.11
    16   6    -0.05   0.02   0.05     0.03   0.01   0.02     0.04   0.01   0.01
    17   6     0.08  -0.01   0.03     0.07  -0.01   0.05     0.03   0.06  -0.02
    18   6     0.13   0.03   0.03     0.08   0.01   0.02     0.00   0.06   0.09
    19   6    -0.04   0.03  -0.01    -0.01   0.05  -0.10    -0.03   0.05   0.03
    20   6    -0.06   0.02   0.04    -0.02   0.04  -0.00    -0.16  -0.07  -0.03
    21   6    -0.07   0.03  -0.03    -0.02   0.01   0.03    -0.20  -0.14  -0.01
    22   6    -0.07   0.02  -0.01     0.03   0.02  -0.03    -0.08  -0.13  -0.09
    23   6    -0.00  -0.05  -0.02    -0.02   0.02  -0.11     0.03   0.05   0.03
    24   6    -0.00  -0.01   0.06    -0.01   0.02   0.07    -0.02  -0.11  -0.03
    25   6     0.03  -0.03  -0.08     0.00   0.03  -0.06     0.01  -0.10  -0.02
    26   6     0.01  -0.05  -0.05    -0.02   0.01  -0.08     0.14   0.03   0.01
    27   6     0.02  -0.04   0.06     0.01  -0.09   0.17     0.20   0.00  -0.03
    28   6     0.04   0.05  -0.02    -0.03   0.04  -0.09     0.16  -0.04  -0.05
    29   6     0.03   0.06  -0.05    -0.01   0.03  -0.08     0.04  -0.01  -0.01
    30   6     0.06  -0.02   0.03     0.04  -0.09   0.14     0.01   0.04   0.01
    31   1     0.13   0.06  -0.03     0.04  -0.02   0.01    -0.16  -0.15  -0.10
    32   1    -0.15  -0.13   0.31     0.04   0.04  -0.13    -0.14   0.21  -0.16
    33   1     0.11  -0.09  -0.02     0.08  -0.03   0.03     0.05   0.09  -0.07
    34   1     0.15   0.03   0.02     0.09   0.03  -0.03     0.05   0.03   0.13
    35   1    -0.06   0.06  -0.09    -0.05  -0.02   0.07    -0.24  -0.19   0.03
    36   1    -0.05   0.02  -0.07     0.04   0.01  -0.07    -0.03  -0.25  -0.18
    37   1     0.05   0.04   0.12    -0.00  -0.00   0.19     0.05  -0.03   0.02
    38   1     0.06  -0.02  -0.15     0.04   0.01  -0.03    -0.11  -0.08   0.01
    39   1    -0.03  -0.07   0.17     0.04  -0.19   0.43     0.25   0.00  -0.05
    40   1     0.03   0.06  -0.00    -0.03   0.06  -0.11     0.19  -0.12  -0.10
    41  35    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.01   0.02   0.01
    42   1     0.14  -0.06   0.08     0.12  -0.21   0.37    -0.01   0.05  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    446.3126               484.3024               495.1203
 Red. masses --      4.4477                 3.7316                 4.9061
 Frc consts  --      0.5220                 0.5157                 0.7086
 IR Inten    --      0.7696                 0.3737                 0.1571
 RamAct Fr= 1--      2.7237                 4.1507                 0.5273
  Dep-P Fr= 1--      0.2265                 0.6552                 0.5574
  Dep-U Fr= 1--      0.3694                 0.7917                 0.7158
 Alpha2 Fr= 1--      0.0344                 0.0070                 0.0019
 Beta2  Fr= 1--      0.1677                 0.5477                 0.0629
 AlphaG Fr= 1--     -0.0477                -0.0010                -0.0189
 Gamma2 Fr= 1--      3.0329                -0.8540                -0.2510
 Delta2 Fr= 1--     -0.0668                -2.8062                -0.0888
 Raman1 Fr= 1--      10.895                 16.603                  2.109
 ROA1   Fr= 1--     289.020               -171.785                -26.939
 CID1   Fr= 1--      26.528                -10.347                -12.772
 Raman2 Fr= 1--       2.012                  6.572                  0.755
 ROA2   Fr= 1--      73.324                  1.953                 -5.314
 CID2   Fr= 1--      36.440                  0.297                 -7.039
 Raman3 Fr= 1--       4.024                 13.144                  1.510
 ROA3   Fr= 1--     289.020               -171.785                -26.939
 CID3   Fr= 1--      71.818                -13.069                -17.843
 RC180  Fr= 1--      -0.261                  0.583                  0.432
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.03   0.10  -0.07     0.01   0.02  -0.03    -0.10  -0.14  -0.01
     2   6    -0.01   0.07  -0.05    -0.02  -0.02   0.02    -0.01  -0.06  -0.00
     3   6    -0.06  -0.05  -0.01     0.05   0.06  -0.06    -0.02   0.03  -0.01
     4   1    -0.04  -0.11   0.04     0.13   0.15  -0.16    -0.07   0.03  -0.00
     5   6    -0.06  -0.04  -0.09    -0.06  -0.06   0.07    -0.00   0.05   0.01
     6   1    -0.04  -0.04  -0.13    -0.13  -0.12   0.16    -0.03   0.06   0.05
     7   6    -0.06  -0.01  -0.11     0.04   0.02  -0.04     0.03  -0.02   0.05
     8   1    -0.04   0.02  -0.18     0.06   0.04  -0.04     0.03  -0.04   0.18
     9   6    -0.10  -0.02   0.00     0.05   0.02  -0.05     0.09  -0.03  -0.04
    10   6     0.01  -0.08   0.07     0.04  -0.00  -0.03    -0.08  -0.01  -0.05
    11   6    -0.03   0.04  -0.02    -0.07  -0.08   0.09     0.08  -0.02  -0.03
    12   6    -0.01   0.02   0.04    -0.05  -0.04   0.07    -0.01   0.06   0.07
    13   6     0.11  -0.02   0.06     0.04   0.01  -0.06    -0.06   0.13   0.02
    14   6     0.11  -0.02  -0.06    -0.02  -0.06   0.07    -0.12   0.14   0.00
    15   6    -0.07  -0.00   0.10     0.00   0.00  -0.01    -0.04   0.01   0.07
    16   6    -0.03   0.04  -0.03    -0.01   0.04  -0.02     0.03  -0.16  -0.04
    17   6     0.12   0.00  -0.05    -0.04  -0.03   0.18    -0.06  -0.17  -0.03
    18   6     0.10  -0.04   0.16     0.06   0.08  -0.12     0.02  -0.07  -0.06
    19   6    -0.04  -0.01   0.06     0.00   0.02  -0.08    -0.06   0.06  -0.01
    20   6    -0.02   0.05  -0.00    -0.02  -0.03   0.02     0.02   0.14   0.05
    21   6    -0.04   0.04   0.08    -0.05  -0.04   0.15     0.07  -0.08   0.05
    22   6    -0.03   0.06  -0.01     0.01   0.07  -0.16     0.14  -0.08  -0.06
    23   6    -0.01  -0.07  -0.03     0.00   0.04  -0.04    -0.04  -0.05  -0.11
    24   6     0.03   0.07  -0.10    -0.00  -0.00  -0.10     0.05   0.20   0.01
    25   6     0.05  -0.09   0.09    -0.01  -0.03   0.06     0.09   0.03   0.06
    26   6    -0.01  -0.10   0.02     0.03  -0.00   0.09    -0.05  -0.08  -0.04
    27   6    -0.08   0.05  -0.12     0.03   0.04  -0.04    -0.09  -0.03   0.01
    28   6     0.02   0.06   0.09     0.01  -0.00  -0.01    -0.03   0.07   0.01
    29   6     0.06   0.03   0.11     0.02  -0.05   0.09     0.03   0.03   0.06
    30   6     0.04   0.04  -0.11    -0.02   0.03  -0.04     0.04  -0.03   0.00
    31   1     0.05  -0.05   0.17     0.03  -0.02  -0.00    -0.22  -0.12  -0.11
    32   1     0.11   0.04  -0.14    -0.09  -0.13   0.19    -0.22   0.16   0.01
    33   1     0.17  -0.07  -0.15    -0.10  -0.12   0.35    -0.07  -0.17   0.00
    34   1     0.07  -0.09   0.25     0.06   0.12  -0.20     0.20  -0.12  -0.05
    35   1    -0.04   0.03   0.14    -0.06  -0.08   0.30    -0.06  -0.20   0.04
    36   1    -0.03   0.09  -0.02     0.04   0.11  -0.30     0.14   0.00  -0.09
    37   1     0.07   0.15  -0.21    -0.00   0.04  -0.23     0.10   0.27  -0.02
    38   1     0.13  -0.13   0.15    -0.05  -0.01   0.05     0.28  -0.03   0.10
    39   1    -0.21   0.14  -0.28     0.03   0.09  -0.18    -0.18  -0.02   0.05
    40   1     0.00   0.12   0.11     0.00   0.02  -0.13    -0.06   0.15   0.01
    41  35    -0.00  -0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.01  -0.00
    42   1     0.09   0.09  -0.25    -0.06   0.07  -0.11     0.14  -0.06   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --    522.2632               527.7929               539.7651
 Red. masses --      3.8141                 4.3240                 3.5163
 Frc consts  --      0.6129                 0.7097                 0.6036
 IR Inten    --      7.5938                 8.3409                26.6497
 RamAct Fr= 1--      3.5344                 7.9865                 1.2788
  Dep-P Fr= 1--      0.1253                 0.0883                 0.5855
  Dep-U Fr= 1--      0.2227                 0.1622                 0.7386
 Alpha2 Fr= 1--      0.0581                 0.1439                 0.0039
 Beta2  Fr= 1--      0.1312                 0.2159                 0.1574
 AlphaG Fr= 1--     -0.2597                -0.0150                 0.0632
 Gamma2 Fr= 1--      0.9984                 2.5961                -1.9871
 Delta2 Fr= 1--      1.0857                 0.3120                -0.5021
 Raman1 Fr= 1--      14.137                 31.946                  5.115
 ROA1   Fr= 1--     130.593                259.208               -206.827
 CID1   Fr= 1--       9.237                  8.114                -40.434
 Raman2 Fr= 1--       1.574                  2.591                  1.889
 ROA2   Fr= 1--      15.276                 59.810                -43.672
 CID2   Fr= 1--       9.703                 23.081                -23.120
 Raman3 Fr= 1--       3.149                  5.183                  3.778
 ROA3   Fr= 1--     130.593                259.208               -206.827
 CID3   Fr= 1--      41.473                 50.015                -54.747
 RC180  Fr= 1--      -0.555                 -0.676                  0.477
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.17  -0.14   0.17    -0.02  -0.01  -0.15     0.08   0.07  -0.03
     2   6    -0.06  -0.03   0.01    -0.01  -0.01  -0.10     0.05   0.05  -0.04
     3   6    -0.02  -0.06  -0.05    -0.08  -0.06  -0.04    -0.06  -0.09   0.08
     4   1    -0.08  -0.15   0.05    -0.12  -0.09  -0.01    -0.14  -0.19   0.19
     5   6     0.04   0.00  -0.08    -0.02   0.01  -0.06     0.10   0.06  -0.08
     6   1     0.01   0.00  -0.03    -0.01   0.10  -0.08     0.21   0.17  -0.22
     7   6    -0.04  -0.07   0.04     0.03  -0.05  -0.01    -0.06  -0.03   0.06
     8   1    -0.20  -0.22   0.16     0.07  -0.02  -0.01    -0.06  -0.03   0.00
     9   6     0.05   0.10  -0.05     0.00  -0.08   0.04    -0.08  -0.02   0.10
    10   6    -0.02   0.03   0.12     0.03  -0.03   0.01     0.04   0.07  -0.03
    11   6     0.06   0.10  -0.11     0.03  -0.02  -0.02     0.03   0.06  -0.07
    12   6    -0.05  -0.03   0.04    -0.04   0.08   0.09     0.02  -0.02  -0.07
    13   6    -0.00  -0.01  -0.01     0.01   0.10   0.18    -0.08  -0.10   0.06
    14   6     0.08   0.06  -0.03     0.01   0.12   0.06     0.00  -0.05   0.03
    15   6    -0.06  -0.05   0.14    -0.05   0.02  -0.10     0.04   0.01  -0.02
    16   6    -0.04  -0.01   0.04    -0.12  -0.03  -0.01     0.02  -0.03   0.14
    17   6    -0.01   0.01  -0.03    -0.03  -0.08   0.01     0.01   0.02   0.04
    18   6    -0.02  -0.02   0.03     0.13   0.07   0.01    -0.03  -0.01  -0.08
    19   6     0.05  -0.04  -0.04     0.06  -0.03  -0.12    -0.01   0.05  -0.07
    20   6     0.08  -0.06  -0.06     0.12  -0.07   0.00    -0.05   0.00   0.11
    21   6     0.06  -0.05   0.11     0.13   0.01  -0.01    -0.05  -0.01   0.02
    22   6     0.01   0.05  -0.08    -0.06   0.04   0.01     0.04  -0.00  -0.06
    23   6    -0.00   0.10  -0.10     0.05  -0.01   0.09    -0.02   0.03  -0.09
    24   6     0.00  -0.04  -0.10     0.02  -0.08   0.06    -0.02   0.04  -0.01
    25   6    -0.04   0.04   0.10    -0.03   0.08  -0.08     0.01  -0.01  -0.01
    26   6    -0.01   0.12  -0.05    -0.00   0.01   0.13     0.02  -0.04   0.08
    27   6     0.04  -0.00   0.05    -0.03   0.03   0.00     0.01  -0.02   0.03
    28   6    -0.03  -0.04  -0.05    -0.07  -0.02   0.00     0.00   0.03  -0.07
    29   6    -0.02  -0.05   0.00    -0.03  -0.04   0.02     0.04  -0.06   0.14
    30   6    -0.02  -0.02   0.08    -0.04   0.02  -0.05     0.01   0.00  -0.03
    31   1    -0.10  -0.05   0.31     0.04  -0.02  -0.15     0.18   0.20  -0.19
    32   1     0.13   0.03  -0.01    -0.03   0.24  -0.10     0.13  -0.01  -0.07
    33   1     0.03   0.03  -0.13     0.02  -0.21  -0.07     0.04   0.15  -0.08
    34   1    -0.01  -0.00  -0.01     0.33   0.08  -0.10    -0.01   0.10  -0.30
    35   1     0.11  -0.02   0.21     0.22   0.09   0.03    -0.06  -0.00  -0.13
    36   1     0.02   0.16  -0.19    -0.10   0.18   0.06     0.10   0.02  -0.28
    37   1    -0.08  -0.14  -0.08    -0.06  -0.16   0.02     0.02   0.12  -0.14
    38   1    -0.13  -0.01   0.30    -0.10   0.17  -0.29     0.02   0.02  -0.14
    39   1     0.15  -0.06   0.16    -0.00   0.09  -0.17    -0.01   0.02  -0.07
    40   1    -0.02  -0.07  -0.07    -0.08   0.01  -0.10    -0.03   0.13  -0.28
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    42   1    -0.05  -0.07   0.21    -0.14   0.09  -0.18     0.01   0.04  -0.11
                     28                     29                     30
                      A                      A                      A
 Frequencies --    544.7328               575.3028               588.1071
 Red. masses --      6.1560                 3.3634                 3.9451
 Frc consts  --      1.0763                 0.6559                 0.8039
 IR Inten    --      1.4138                 0.2650                10.1792
 RamAct Fr= 1--      8.7664                 3.7247                 3.4773
  Dep-P Fr= 1--      0.2024                 0.1235                 0.2658
  Dep-U Fr= 1--      0.3367                 0.2199                 0.4199
 Alpha2 Fr= 1--      0.1183                 0.0615                 0.0394
 Beta2  Fr= 1--      0.4919                 0.1365                 0.2434
 AlphaG Fr= 1--     -0.1236                -1.0575                -0.3858
 Gamma2 Fr= 1--      1.0357                -1.2190                 2.1509
 Delta2 Fr= 1--      0.3570                 0.6889                 1.0208
 Raman1 Fr= 1--      35.066                 14.899                 13.909
 ROA1   Fr= 1--     110.852                -94.977                239.148
 CID1   Fr= 1--       3.161                 -6.375                 17.194
 Raman2 Fr= 1--       5.903                  1.638                  2.920
 ROA2   Fr= 1--      22.001                -34.766                 43.455
 CID2   Fr= 1--       3.727                -21.223                 14.880
 Raman3 Fr= 1--      11.805                  3.276                  5.841
 ROA3   Fr= 1--     110.852                -94.977                239.148
 CID3   Fr= 1--       9.390                -28.989                 40.945
 RC180  Fr= 1--      -0.327                 -0.560                 -0.160
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.00  -0.06   0.13     0.15   0.13  -0.17    -0.07  -0.07   0.07
     2   6     0.12   0.04   0.16     0.05   0.03  -0.07     0.03   0.03  -0.03
     3   6     0.06   0.17   0.25    -0.05  -0.06   0.05    -0.03  -0.04   0.03
     4   1     0.03   0.09   0.33    -0.08  -0.05   0.04    -0.15  -0.18   0.18
     5   6    -0.01   0.14  -0.01     0.03   0.04  -0.03     0.04   0.04  -0.07
     6   1     0.08  -0.03  -0.12     0.14   0.16  -0.16     0.03   0.02  -0.06
     7   6    -0.16   0.08   0.03    -0.02  -0.02   0.04    -0.05  -0.03   0.04
     8   1    -0.13   0.08   0.22     0.08   0.08  -0.08    -0.16  -0.13   0.15
     9   6    -0.03  -0.08  -0.16    -0.07  -0.08   0.09     0.01   0.04  -0.03
    10   6    -0.05  -0.20  -0.19     0.07   0.05  -0.10    -0.00  -0.00   0.03
    11   6     0.14   0.07   0.00    -0.02  -0.03   0.01     0.06   0.07  -0.08
    12   6     0.07  -0.01   0.03     0.04   0.06  -0.08    -0.08  -0.07   0.11
    13   6     0.07  -0.04   0.03     0.02   0.05   0.00    -0.05  -0.08   0.06
    14   6    -0.09  -0.20  -0.14    -0.06  -0.02   0.12     0.03  -0.03  -0.03
    15   6    -0.05  -0.07  -0.01    -0.03   0.00  -0.02     0.03  -0.00  -0.01
    16   6    -0.10  -0.02  -0.01    -0.05  -0.00  -0.04     0.08   0.04  -0.06
    17   6    -0.01  -0.04  -0.02    -0.03  -0.04   0.03    -0.01  -0.01   0.14
    18   6     0.08   0.02   0.04     0.05   0.04  -0.03     0.02   0.03  -0.11
    19   6    -0.01  -0.05  -0.06     0.01  -0.04   0.12    -0.03   0.03  -0.04
    20   6     0.04  -0.03  -0.02     0.03  -0.03   0.01    -0.04   0.08  -0.14
    21   6     0.02   0.03   0.04     0.03  -0.02   0.04    -0.06  -0.00   0.05
    22   6    -0.06   0.07  -0.02    -0.03   0.03  -0.03     0.05   0.02  -0.06
    23   6    -0.03   0.03  -0.01    -0.00   0.01   0.00     0.01  -0.08   0.18
    24   6     0.04  -0.02  -0.01     0.00   0.01  -0.13     0.01   0.02   0.05
    25   6     0.01   0.05   0.00    -0.01  -0.03   0.13     0.03  -0.01  -0.04
    26   6    -0.00   0.04   0.02    -0.02   0.06  -0.12    -0.00  -0.04  -0.01
    27   6     0.01   0.01   0.02     0.00   0.01  -0.06    -0.03   0.02  -0.07
    28   6    -0.02   0.00  -0.02     0.02  -0.04   0.05     0.01  -0.02   0.10
    29   6    -0.02  -0.01   0.03    -0.02   0.05  -0.13    -0.04   0.09  -0.15
    30   6    -0.03   0.02   0.03     0.01  -0.02   0.08    -0.00  -0.01   0.04
    31   1    -0.05  -0.20  -0.15     0.16   0.14  -0.30     0.03   0.02   0.05
    32   1    -0.26  -0.15  -0.15    -0.11  -0.01   0.13     0.13   0.00  -0.11
    33   1     0.03  -0.16  -0.09    -0.05  -0.14   0.10    -0.05   0.01   0.23
    34   1     0.12   0.02   0.01     0.08   0.01   0.01     0.03   0.13  -0.30
    35   1     0.07   0.08   0.09     0.06   0.02   0.05    -0.16  -0.15   0.33
    36   1    -0.08   0.16  -0.04    -0.04   0.10  -0.05     0.04  -0.12   0.09
    37   1     0.01  -0.07   0.00    -0.02  -0.00  -0.18     0.05   0.01   0.24
    38   1    -0.02   0.06   0.01    -0.03  -0.10   0.34     0.08  -0.04  -0.01
    39   1     0.04   0.01   0.02     0.05  -0.07   0.13    -0.08   0.03  -0.08
    40   1    -0.02   0.00  -0.08     0.06  -0.16   0.32     0.04  -0.10   0.31
    41  35     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    42   1    -0.06   0.03   0.02     0.05  -0.11   0.26     0.00   0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --    612.1256               627.9108               641.7888
 Red. masses --      7.2577                 4.2248                 5.0546
 Frc consts  --      1.6022                 0.9814                 1.2267
 IR Inten    --      8.8726                 0.4857                17.7752
 RamAct Fr= 1--      3.7915                 0.7236                 1.1675
  Dep-P Fr= 1--      0.1760                 0.5857                 0.3716
  Dep-U Fr= 1--      0.2993                 0.7388                 0.5419
 Alpha2 Fr= 1--      0.0548                 0.0022                 0.0095
 Beta2  Fr= 1--      0.1892                 0.0891                 0.1054
 AlphaG Fr= 1--     -0.1869                -0.0034                -0.0186
 Gamma2 Fr= 1--      1.0460                 0.1537                -2.4695
 Delta2 Fr= 1--      0.0133                -0.2106                 0.0732
 Raman1 Fr= 1--      15.166                  2.894                  4.670
 ROA1   Fr= 1--     100.841                  8.017               -234.727
 CID1   Fr= 1--       6.649                  2.770                -50.262
 Raman2 Fr= 1--       2.270                  1.069                  1.265
 ROA2   Fr= 1--      24.998                  5.374                -59.852
 CID2   Fr= 1--      11.013                  5.027                -47.301
 Raman3 Fr= 1--       4.540                  2.138                  2.531
 ROA3   Fr= 1--     100.841                  8.017               -234.727
 CID3   Fr= 1--      22.212                  3.749                -92.751
 RC180  Fr= 1--      -0.401                  0.478                  0.084
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.00   0.09  -0.05    -0.10  -0.12   0.08     0.05  -0.16   0.04
     2   6    -0.03   0.06  -0.01    -0.00  -0.03   0.00     0.04  -0.17   0.01
     3   6    -0.05  -0.03  -0.02     0.01   0.01  -0.01     0.10   0.03  -0.01
     4   1     0.02  -0.04  -0.01    -0.06  -0.06   0.07    -0.00   0.15  -0.12
     5   6    -0.02  -0.01  -0.05    -0.00   0.01  -0.01     0.04  -0.01   0.14
     6   1    -0.00   0.08  -0.07    -0.08  -0.08   0.08     0.04  -0.14   0.14
     7   6     0.03  -0.06   0.01    -0.01   0.01  -0.01    -0.05   0.15  -0.02
     8   1     0.07  -0.03  -0.03    -0.11  -0.09   0.13    -0.07   0.14  -0.08
     9   6     0.01  -0.00   0.05     0.04   0.03  -0.06    -0.06   0.01  -0.04
    10   6    -0.01   0.07  -0.02    -0.02  -0.07   0.06    -0.02  -0.06   0.03
    11   6     0.02   0.00   0.04     0.04   0.03  -0.04    -0.07  -0.03  -0.09
    12   6     0.08  -0.02  -0.00    -0.10  -0.02   0.10    -0.06   0.08  -0.11
    13   6     0.02   0.03  -0.04    -0.06  -0.04   0.13    -0.06  -0.03   0.07
    14   6    -0.03   0.02   0.03     0.05   0.02  -0.04     0.03   0.03  -0.04
    15   6     0.03  -0.08   0.02     0.06   0.02  -0.18    -0.00   0.12  -0.05
    16   6     0.04  -0.00  -0.02     0.04   0.06  -0.16    -0.04  -0.02   0.16
    17   6    -0.01   0.03  -0.00    -0.01  -0.01   0.09     0.09   0.00   0.01
    18   6    -0.01   0.05   0.02     0.06   0.05  -0.06     0.01  -0.07   0.03
    19   6    -0.09  -0.07  -0.00     0.02   0.00   0.15     0.06   0.10  -0.07
    20   6    -0.02  -0.07  -0.05    -0.02  -0.06   0.19     0.01  -0.01   0.06
    21   6    -0.07   0.01  -0.01    -0.02   0.04  -0.11    -0.00  -0.07   0.04
    22   6     0.02  -0.02  -0.00    -0.05  -0.02   0.10    -0.05  -0.03  -0.06
    23   6    -0.16   0.04  -0.03    -0.02   0.04  -0.12     0.09  -0.01   0.02
    24   6     0.28  -0.16  -0.03    -0.01  -0.00  -0.08     0.03   0.00  -0.04
    25   6     0.24  -0.07  -0.08     0.01  -0.08   0.07     0.05  -0.07   0.02
    26   6     0.09   0.01  -0.06     0.01   0.02  -0.08     0.06   0.01   0.01
    27   6    -0.02   0.21   0.13     0.02   0.03   0.03    -0.02   0.18  -0.01
    28   6    -0.15   0.15   0.05    -0.01   0.03  -0.02    -0.12   0.00   0.11
    29   6    -0.25   0.08   0.14    -0.01  -0.02   0.06    -0.10   0.04  -0.10
    30   6    -0.23   0.00   0.05    -0.00  -0.03  -0.00    -0.01  -0.14   0.02
    31   1    -0.01   0.07  -0.04    -0.02  -0.07   0.06    -0.00  -0.04   0.01
    32   1    -0.04  -0.03   0.10     0.12   0.13  -0.23     0.05   0.11  -0.16
    33   1    -0.03   0.03   0.05    -0.07  -0.10   0.27     0.18   0.14  -0.26
    34   1    -0.03   0.01   0.10     0.10   0.10  -0.17     0.05   0.02  -0.17
    35   1    -0.08  -0.01   0.02     0.03   0.12  -0.30     0.03  -0.01  -0.10
    36   1     0.04  -0.10   0.01    -0.08  -0.10   0.27     0.01   0.07  -0.32
    37   1     0.37  -0.10   0.08     0.03   0.11  -0.34     0.08   0.08  -0.12
    38   1     0.20  -0.07  -0.04    -0.00  -0.06   0.04     0.05  -0.06  -0.03
    39   1    -0.15   0.22   0.19     0.03  -0.03   0.17    -0.01   0.17   0.01
    40   1    -0.11   0.02  -0.06     0.00   0.00  -0.02    -0.07  -0.15   0.24
    41  35     0.04  -0.03  -0.02     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    42   1    -0.20   0.00   0.05     0.04  -0.08   0.10    -0.01  -0.17   0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --    651.3480               683.1437               693.2163
 Red. masses --      4.4954                 6.0088                 5.4330
 Frc consts  --      1.1237                 1.6522                 1.5382
 IR Inten    --      2.5437                 5.1313                 0.2156
 RamAct Fr= 1--      0.2713                45.9288                 4.4957
  Dep-P Fr= 1--      0.4938                 0.0610                 0.0630
  Dep-U Fr= 1--      0.6611                 0.1149                 0.1185
 Alpha2 Fr= 1--      0.0014                 0.8838                 0.0861
 Beta2  Fr= 1--      0.0299                 0.8797                 0.0888
 AlphaG Fr= 1--      0.0076                -1.3736                -0.1902
 Gamma2 Fr= 1--      0.2242                 8.8414                -0.2273
 Delta2 Fr= 1--     -0.2404                 0.3602                -0.8208
 Raman1 Fr= 1--       1.085                183.715                 17.983
 ROA1   Fr= 1--      13.831                860.298                -48.089
 CID1   Fr= 1--      12.746                  4.683                 -2.674
 Raman2 Fr= 1--       0.359                 10.557                  1.065
 ROA2   Fr= 1--       7.304                209.311                  1.110
 CID2   Fr= 1--      20.363                 19.827                  1.041
 Raman3 Fr= 1--       0.717                 21.114                  2.131
 ROA3   Fr= 1--      13.831                860.298                -48.089
 CID3   Fr= 1--      19.278                 40.746                -22.567
 RC180  Fr= 1--       0.322                 -0.770                 -0.763
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.15  -0.05  -0.09     0.06  -0.21  -0.01    -0.03   0.01   0.01
     2   6     0.11  -0.09  -0.10     0.05  -0.21  -0.05    -0.01   0.02  -0.02
     3   6    -0.00  -0.06   0.06     0.07  -0.02  -0.04    -0.02  -0.01  -0.02
     4   1    -0.18  -0.03   0.04    -0.10   0.13  -0.16    -0.07  -0.04   0.01
     5   6     0.10   0.07   0.03     0.06   0.00   0.14     0.04   0.02   0.02
     6   1     0.17   0.05  -0.06     0.09  -0.10   0.10    -0.00   0.08   0.09
     7   6    -0.11   0.07   0.07    -0.10   0.17  -0.01     0.08  -0.03   0.05
     8   1    -0.13   0.05   0.02    -0.13   0.15  -0.14     0.07  -0.05   0.08
     9   6    -0.05   0.02  -0.03    -0.11   0.03  -0.00     0.03   0.02   0.02
    10   6     0.05   0.02  -0.05    -0.05   0.02   0.03    -0.16   0.11  -0.05
    11   6    -0.08  -0.05  -0.07    -0.06  -0.04  -0.12     0.00  -0.00   0.01
    12   6    -0.14   0.01   0.05    -0.02   0.03  -0.07    -0.01  -0.04   0.02
    13   6     0.03   0.04  -0.11    -0.03   0.01   0.10    -0.02  -0.01  -0.04
    14   6    -0.02  -0.02   0.06    -0.02   0.07   0.01    -0.14   0.04  -0.06
    15   6    -0.07   0.06   0.16     0.01  -0.04  -0.03     0.03  -0.00   0.01
    16   6     0.04   0.07  -0.12     0.05   0.00   0.02     0.04   0.01   0.02
    17   6     0.07  -0.01   0.04     0.08   0.00   0.07     0.18  -0.15  -0.01
    18   6     0.03  -0.04  -0.03     0.08   0.02   0.02     0.09  -0.24  -0.04
    19   6     0.07   0.04   0.12    -0.09  -0.09   0.02    -0.01   0.02  -0.04
    20   6     0.03   0.03  -0.10     0.02  -0.04  -0.07    -0.04  -0.01   0.02
    21   6     0.03  -0.03  -0.04     0.03   0.03   0.03    -0.05   0.25   0.06
    22   6    -0.05  -0.02   0.01     0.10   0.04   0.00     0.07   0.20   0.09
    23   6     0.08  -0.01  -0.03    -0.19   0.03   0.05     0.00   0.01   0.00
    24   6    -0.02  -0.02   0.05     0.08  -0.09  -0.03    -0.09  -0.10  -0.03
    25   6    -0.02  -0.01  -0.07     0.03   0.02  -0.02    -0.10  -0.14  -0.03
    26   6     0.03   0.02  -0.02    -0.09  -0.04  -0.06     0.04  -0.00   0.02
    27   6     0.01   0.05   0.11    -0.04  -0.22  -0.04     0.07   0.06  -0.00
    28   6    -0.07   0.05  -0.05     0.12   0.01  -0.07     0.04  -0.00   0.01
    29   6     0.01  -0.07   0.11     0.03   0.03   0.07    -0.03   0.01  -0.02
    30   6     0.01  -0.06  -0.11    -0.08   0.24   0.08    -0.02  -0.02   0.01
    31   1     0.02  -0.01   0.01     0.02   0.09  -0.08    -0.23   0.05  -0.11
    32   1    -0.12  -0.09   0.21     0.02   0.17  -0.16    -0.15   0.02  -0.02
    33   1    -0.02  -0.11   0.30     0.11   0.02  -0.00     0.17  -0.21   0.04
    34   1    -0.09  -0.13   0.19     0.13   0.06  -0.07     0.13  -0.30   0.06
    35   1     0.02  -0.08   0.19     0.02   0.01   0.09     0.02   0.34  -0.00
    36   1    -0.11  -0.10   0.26     0.10  -0.00   0.04     0.07   0.24   0.03
    37   1    -0.03  -0.08   0.24     0.03  -0.19   0.10    -0.08  -0.07  -0.09
    38   1    -0.02  -0.04   0.03     0.01  -0.02   0.12    -0.21  -0.10  -0.07
    39   1     0.02   0.07   0.07    -0.12  -0.23   0.01     0.08   0.07  -0.02
    40   1    -0.09   0.09  -0.25     0.08   0.14  -0.07     0.07  -0.08   0.00
    41  35    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.03  -0.02  -0.20    -0.08   0.26   0.02    -0.02  -0.02   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --    707.6199               716.6099               756.0315
 Red. masses --      3.3499                 5.8104                 1.6197
 Frc consts  --      0.9883                 1.7580                 0.5455
 IR Inten    --      1.8000                 0.9941                12.9382
 RamAct Fr= 1--      0.9004                 3.6508                 4.6499
  Dep-P Fr= 1--      0.4300                 0.6747                 0.7342
  Dep-U Fr= 1--      0.6014                 0.8058                 0.8468
 Alpha2 Fr= 1--      0.0060                 0.0049                 0.0013
 Beta2  Fr= 1--      0.0902                 0.4903                 0.6562
 AlphaG Fr= 1--     -0.0417                -0.0054                -0.0363
 Gamma2 Fr= 1--     -4.0440                -2.6585                -9.3737
 Delta2 Fr= 1--      0.0428                 0.5907                -0.7750
 Raman1 Fr= 1--       3.602                 14.603                 18.600
 ROA1   Fr= 1--    -386.853               -236.318               -924.679
 CID1   Fr= 1--    -107.413                -16.183                -49.715
 Raman2 Fr= 1--       1.083                  5.883                  7.875
 ROA2   Fr= 1--     -97.397                -68.530               -218.770
 CID2   Fr= 1--     -89.940                -11.648                -27.781
 Raman3 Fr= 1--       2.166                 11.767                 15.749
 ROA3   Fr= 1--    -386.853               -236.318               -924.679
 CID3   Fr= 1--    -178.616                -20.084                -58.712
 RC180  Fr= 1--       0.203                  0.612                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.10  -0.03   0.11     0.10   0.00  -0.12     0.17   0.20  -0.17
     2   6    -0.06   0.01   0.07     0.07  -0.05   0.01    -0.01   0.01   0.01
     3   6     0.03   0.06  -0.04     0.01   0.03   0.08    -0.04  -0.03   0.05
     4   1     0.11   0.05  -0.04     0.08   0.08   0.02     0.19   0.21  -0.21
     5   6    -0.06  -0.05   0.03    -0.07   0.01  -0.07    -0.02  -0.00   0.00
     6   1    -0.08  -0.04   0.05     0.04  -0.10  -0.23     0.20   0.24  -0.27
     7   6     0.07  -0.00  -0.05    -0.16   0.03  -0.06    -0.02  -0.05   0.05
     8   1     0.11   0.04  -0.08    -0.12   0.07  -0.07     0.16   0.11  -0.13
     9   6    -0.03  -0.04   0.07    -0.02  -0.03  -0.08     0.06   0.03  -0.06
    10   6    -0.03  -0.02   0.03     0.19  -0.11   0.05     0.01   0.00  -0.02
    11   6     0.07   0.06  -0.03    -0.01  -0.05   0.01    -0.02  -0.01   0.03
    12   6     0.10   0.04  -0.11    -0.01   0.05   0.03    -0.03   0.00   0.01
    13   6    -0.05  -0.05   0.10    -0.00   0.08  -0.01    -0.02  -0.02   0.02
    14   6    -0.00  -0.02  -0.01     0.14   0.10   0.11     0.03   0.05  -0.05
    15   6     0.00   0.01  -0.00     0.00   0.01  -0.00     0.03   0.03  -0.07
    16   6    -0.03  -0.01  -0.00     0.03  -0.08   0.02    -0.00   0.01   0.03
    17   6    -0.05  -0.06   0.03    -0.19  -0.04  -0.09     0.03  -0.01   0.03
    18   6     0.01  -0.01  -0.05    -0.11  -0.00  -0.03    -0.01  -0.05   0.02
    19   6     0.02  -0.00   0.15    -0.06   0.04  -0.03     0.02   0.01   0.03
    20   6     0.01   0.05  -0.11    -0.03   0.04   0.00     0.00  -0.01  -0.00
    21   6    -0.00   0.01   0.05     0.07   0.09   0.04    -0.02  -0.01   0.01
    22   6     0.00   0.05  -0.05     0.24   0.06   0.08    -0.03   0.01  -0.02
    23   6     0.05  -0.05   0.08    -0.04  -0.01   0.02     0.01  -0.01   0.06
    24   6    -0.06   0.03  -0.02    -0.13  -0.04  -0.02     0.02   0.00  -0.03
    25   6    -0.04  -0.03  -0.05    -0.10  -0.18  -0.06     0.02   0.00  -0.00
    26   6     0.02   0.03  -0.11     0.06  -0.02  -0.02    -0.02   0.01  -0.05
    27   6     0.04   0.03   0.09     0.11   0.07   0.01    -0.02  -0.03   0.01
    28   6    -0.02   0.04  -0.06     0.09   0.03   0.00    -0.02   0.01  -0.02
    29   6     0.00  -0.04   0.09    -0.08   0.04   0.02     0.02  -0.01   0.02
    30   6    -0.00  -0.03  -0.08    -0.07  -0.01   0.02     0.00   0.03  -0.01
    31   1     0.13   0.12  -0.22     0.10  -0.19   0.22    -0.23  -0.22   0.31
    32   1     0.15   0.12  -0.28     0.03   0.04   0.24    -0.16  -0.12   0.26
    33   1    -0.01  -0.03  -0.10    -0.20   0.08  -0.11     0.10   0.10  -0.20
    34   1     0.11   0.06  -0.23     0.01  -0.02  -0.07     0.08   0.08  -0.25
    35   1    -0.02  -0.04   0.22     0.02   0.06  -0.11     0.00   0.02  -0.00
    36   1    -0.03   0.06   0.05     0.25   0.14   0.00    -0.03  -0.00  -0.03
    37   1    -0.06  -0.09   0.36    -0.10  -0.03   0.04     0.02  -0.03   0.10
    38   1    -0.02  -0.17   0.33    -0.16  -0.19   0.01     0.03  -0.05   0.14
    39   1     0.05   0.01   0.14     0.07   0.08   0.02    -0.03  -0.05   0.06
    40   1    -0.02   0.03  -0.17     0.13  -0.10  -0.06    -0.03   0.04   0.00
    41  35    -0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    42   1    -0.03   0.03  -0.23    -0.04   0.01  -0.03    -0.04   0.06  -0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --    760.0697               764.9123               777.3879
 Red. masses --      1.8602                 4.9192                 1.6910
 Frc consts  --      0.6332                 1.6958                 0.6021
 IR Inten    --     11.5087                 5.0612                 6.0833
 RamAct Fr= 1--      2.6833                 1.2875                 0.9056
  Dep-P Fr= 1--      0.4860                 0.4535                 0.5450
  Dep-U Fr= 1--      0.6541                 0.6240                 0.7055
 Alpha2 Fr= 1--      0.0141                 0.0078                 0.0036
 Beta2  Fr= 1--      0.2925                 0.1339                 0.1065
 AlphaG Fr= 1--     -0.1579                -0.0677                 0.0098
 Gamma2 Fr= 1--     -7.2855                -0.0551                -3.1309
 Delta2 Fr= 1--     -1.6536                 0.2946                 0.0460
 Raman1 Fr= 1--      10.733                  5.150                  3.622
 ROA1   Fr= 1--    -752.320                  4.137               -299.097
 CID1   Fr= 1--     -70.093                  0.803                -82.568
 Raman2 Fr= 1--       3.510                  1.607                  1.278
 ROA2   Fr= 1--    -161.622                 -3.679                -75.510
 CID2   Fr= 1--     -46.042                 -2.290                -59.090
 Raman3 Fr= 1--       7.021                  3.214                  2.556
 ROA3   Fr= 1--    -752.320                  4.137               -299.097
 CID3   Fr= 1--    -107.160                  1.287               -117.028
 RC180  Fr= 1--       0.308                  0.248                  0.411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.07   0.05  -0.10     0.04   0.04  -0.01    -0.04   0.01   0.09
     2   6    -0.03  -0.06   0.02    -0.02   0.00  -0.08    -0.01   0.06   0.00
     3   6    -0.01  -0.02  -0.01    -0.03  -0.10  -0.08     0.01   0.01  -0.01
     4   1     0.17   0.23  -0.28    -0.19  -0.10  -0.06    -0.09  -0.15   0.16
     5   6    -0.02  -0.04   0.06     0.14   0.03   0.07     0.03   0.02  -0.02
     6   1     0.21   0.21  -0.24     0.02   0.07   0.22    -0.13  -0.10   0.19
     7   6    -0.03   0.01   0.02     0.04   0.03   0.07     0.05  -0.01   0.00
     8   1     0.16   0.19  -0.27    -0.08  -0.08   0.10    -0.05  -0.11   0.16
     9   6    -0.03   0.02   0.02     0.00   0.09  -0.01     0.01  -0.02   0.01
    10   6    -0.02   0.04  -0.00    -0.09   0.06  -0.04     0.02  -0.03  -0.02
    11   6     0.05   0.04  -0.06    -0.09  -0.01   0.03    -0.05  -0.01   0.03
    12   6     0.04  -0.01  -0.02    -0.01  -0.05   0.05    -0.02   0.04  -0.04
    13   6     0.00  -0.02   0.04     0.10  -0.01   0.02     0.00  -0.00  -0.02
    14   6    -0.00  -0.02  -0.02    -0.05  -0.13  -0.13     0.00  -0.01  -0.02
    15   6    -0.02  -0.06   0.07    -0.02  -0.07  -0.11    -0.03   0.06   0.00
    16   6     0.02  -0.00  -0.06    -0.05  -0.05   0.01    -0.01   0.01   0.02
    17   6    -0.04  -0.02   0.03    -0.05   0.05  -0.01     0.01  -0.01   0.04
    18   6     0.02   0.05   0.02     0.08   0.19   0.16    -0.03  -0.04   0.03
    19   6    -0.02  -0.02  -0.00    -0.05  -0.03  -0.03     0.01   0.03   0.03
    20   6    -0.01   0.01  -0.00     0.01   0.05   0.03     0.03   0.01  -0.01
    21   6     0.01   0.03  -0.05     0.09  -0.07   0.02     0.08  -0.02  -0.05
    22   6     0.03   0.01  -0.02     0.08  -0.04   0.02    -0.00   0.01  -0.06
    23   6    -0.01   0.01  -0.08    -0.02  -0.08   0.05    -0.03   0.02  -0.01
    24   6    -0.03  -0.01   0.06    -0.13   0.12  -0.01    -0.02  -0.03   0.04
    25   6    -0.02   0.01   0.02    -0.06  -0.04  -0.02    -0.01  -0.07   0.01
    26   6     0.02  -0.00   0.06     0.04  -0.00  -0.05    -0.00  -0.03  -0.02
    27   6     0.03   0.05  -0.02     0.11   0.08   0.04     0.00  -0.02  -0.03
    28   6     0.02  -0.01   0.02     0.09   0.05  -0.01     0.03   0.02  -0.02
    29   6    -0.01   0.01  -0.02    -0.07   0.03   0.04    -0.02   0.01   0.03
    30   6     0.01  -0.05   0.01    -0.05  -0.06  -0.03    -0.04   0.04   0.02
    31   1    -0.04   0.02   0.08    -0.10   0.05   0.12    -0.01  -0.06  -0.00
    32   1    -0.00  -0.04   0.00    -0.14  -0.20   0.02    -0.08  -0.06   0.08
    33   1     0.00  -0.01  -0.09     0.05  -0.05  -0.21     0.12   0.15  -0.31
    34   1     0.10   0.09  -0.11     0.15   0.24   0.05     0.06   0.10  -0.26
    35   1    -0.07  -0.11   0.28     0.06  -0.06  -0.21     0.03  -0.15   0.38
    36   1    -0.04  -0.12   0.34     0.09   0.08  -0.10    -0.11  -0.08   0.36
    37   1    -0.03   0.08  -0.25    -0.12   0.05   0.22    -0.00   0.09  -0.27
    38   1    -0.05   0.12  -0.27     0.01  -0.14   0.26    -0.01   0.03  -0.29
    39   1     0.05   0.05  -0.03     0.07   0.09   0.02    -0.01  -0.08   0.16
    40   1     0.03  -0.05   0.02     0.14  -0.08  -0.10     0.05  -0.05   0.11
    41  35    -0.00  -0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    42   1     0.07  -0.10   0.08    -0.00  -0.03  -0.14    -0.04   0.02   0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --    783.2196               795.4389               815.2457
 Red. masses --      3.0086                 1.6342                 2.0596
 Frc consts  --      1.0874                 0.6092                 0.8065
 IR Inten    --     12.3569                 1.3595                 4.5912
 RamAct Fr= 1--      3.4010                 1.3246                 1.0535
  Dep-P Fr= 1--      0.6596                 0.7311                 0.6893
  Dep-U Fr= 1--      0.7949                 0.8447                 0.8161
 Alpha2 Fr= 1--      0.0055                 0.0004                 0.0011
 Beta2  Fr= 1--      0.4506                 0.1865                 0.1433
 AlphaG Fr= 1--      0.0637                -0.0304                -0.0023
 Gamma2 Fr= 1--     -1.2089                -4.7081                -3.3502
 Delta2 Fr= 1--     -2.3993                -0.1375                -0.6190
 Raman1 Fr= 1--      13.604                  5.299                  4.214
 ROA1   Fr= 1--    -192.830               -456.378               -341.423
 CID1   Fr= 1--     -14.175                -86.132                -81.023
 Raman2 Fr= 1--       5.407                  2.238                  1.719
 ROA2   Fr= 1--      -9.819               -111.895                -75.452
 CID2   Fr= 1--      -1.816                -50.002                -43.882
 Raman3 Fr= 1--      10.813                  4.476                  3.439
 ROA3   Fr= 1--    -192.830               -456.378               -341.423
 CID3   Fr= 1--     -17.832               -101.970                -99.283
 RC180  Fr= 1--       0.590                  0.689                  0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.02   0.13   0.03    -0.02  -0.02   0.01    -0.27  -0.29   0.26
     2   6    -0.07   0.05   0.05    -0.00  -0.01   0.00     0.00  -0.00   0.00
     3   6    -0.01  -0.01   0.00    -0.00   0.00  -0.00     0.05   0.07  -0.06
     4   1     0.20   0.15  -0.17     0.03   0.05  -0.05    -0.19  -0.19   0.22
     5   6    -0.01  -0.03   0.05    -0.01  -0.02   0.02    -0.03  -0.04   0.03
     6   1     0.16   0.25  -0.16     0.07   0.07  -0.08     0.00  -0.02  -0.00
     7   6     0.07  -0.06   0.04    -0.01  -0.00   0.01     0.01   0.00  -0.01
     8   1     0.23   0.09  -0.13     0.06   0.06  -0.09     0.20   0.18  -0.26
     9   6     0.03  -0.01   0.01    -0.01  -0.00   0.01    -0.10  -0.08   0.12
    10   6     0.01  -0.07  -0.01    -0.00   0.01   0.00     0.05   0.05  -0.07
    11   6     0.03   0.09  -0.05     0.03   0.02  -0.03     0.08   0.06  -0.08
    12   6    -0.09   0.05  -0.00    -0.02  -0.02   0.04    -0.04  -0.02   0.07
    13   6    -0.03  -0.03  -0.00     0.01   0.00  -0.02     0.03   0.01  -0.05
    14   6    -0.01  -0.08  -0.01    -0.01  -0.02   0.01     0.01   0.00  -0.02
    15   6    -0.07   0.10   0.06    -0.00  -0.00   0.00    -0.00   0.01   0.00
    16   6    -0.01   0.04  -0.03    -0.01  -0.01   0.02     0.01   0.01  -0.04
    17   6     0.06   0.04  -0.00     0.01   0.02  -0.03    -0.01  -0.01   0.02
    18   6     0.00  -0.01  -0.06     0.01   0.01  -0.01    -0.02  -0.01   0.03
    19   6     0.00   0.08  -0.03     0.00   0.01  -0.07     0.01   0.02  -0.05
    20   6     0.05   0.01   0.02    -0.00   0.01   0.01    -0.00  -0.01   0.06
    21   6     0.14  -0.09   0.00    -0.00  -0.00   0.01    -0.00  -0.00  -0.01
    22   6    -0.02  -0.04   0.03     0.01  -0.01   0.01    -0.01  -0.01   0.02
    23   6    -0.06   0.04  -0.02     0.02  -0.03   0.10     0.01   0.00   0.03
    24   6    -0.04   0.01  -0.01    -0.00   0.00   0.02     0.00   0.01  -0.03
    25   6    -0.02  -0.10  -0.06     0.00  -0.03   0.06     0.01  -0.01  -0.01
    26   6     0.01  -0.07   0.01    -0.01   0.02  -0.07    -0.00   0.01  -0.02
    27   6     0.01  -0.04  -0.01    -0.00   0.02  -0.04    -0.01  -0.01   0.01
    28   6     0.06  -0.00   0.03    -0.02   0.05  -0.10    -0.01  -0.01   0.01
    29   6    -0.06   0.05  -0.00     0.01  -0.04   0.07     0.00  -0.00  -0.01
    30   6    -0.07   0.06   0.07    -0.00   0.01  -0.02     0.00   0.01   0.01
    31   1     0.08  -0.00  -0.12     0.03   0.04  -0.03    -0.12  -0.11   0.23
    32   1     0.07   0.02  -0.19     0.04   0.01  -0.06    -0.19  -0.21   0.37
    33   1    -0.06  -0.05   0.35    -0.05  -0.06   0.16     0.04   0.07  -0.14
    34   1    -0.20  -0.10   0.20    -0.08  -0.07   0.19     0.06   0.08  -0.19
    35   1     0.21   0.01  -0.20    -0.00   0.00  -0.04     0.02   0.03  -0.11
    36   1    -0.01   0.14  -0.13     0.03   0.03  -0.10    -0.00  -0.01   0.01
    37   1    -0.02  -0.02   0.12     0.01   0.10  -0.25     0.01  -0.02   0.08
    38   1     0.03  -0.15   0.05     0.01   0.09  -0.27     0.02  -0.06   0.13
    39   1    -0.09   0.03  -0.17     0.08  -0.22   0.58    -0.02   0.02  -0.07
    40   1     0.05   0.03  -0.11     0.07  -0.18   0.41    -0.02   0.03  -0.06
    41  35     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    42   1    -0.08   0.06   0.09    -0.06   0.09  -0.18    -0.03   0.04  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --    829.6371               838.9481               850.2296
 Red. masses --      4.6273                 2.3555                 2.1200
 Frc consts  --      1.8765                 0.9768                 0.9030
 IR Inten    --     17.9484                16.9697                 2.4520
 RamAct Fr= 1--      2.9848                 3.8894                 1.5836
  Dep-P Fr= 1--      0.7432                 0.1448                 0.2959
  Dep-U Fr= 1--      0.8527                 0.2530                 0.4567
 Alpha2 Fr= 1--      0.0003                 0.0609                 0.0164
 Beta2  Fr= 1--      0.4242                 0.1640                 0.1205
 AlphaG Fr= 1--     -0.0004                -0.0320                 0.0254
 Gamma2 Fr= 1--     -6.1986                 2.5059                 1.3344
 Delta2 Fr= 1--     -9.6561                 0.6865                -1.0216
 Raman1 Fr= 1--      11.939                 15.558                  6.334
 ROA1   Fr= 1--    -904.062                262.533                 95.406
 CID1   Fr= 1--     -75.721                 16.875                 15.062
 Raman2 Fr= 1--       5.090                  1.968                  1.446
 ROA2   Fr= 1--     -71.519                 54.650                 40.198
 CID2   Fr= 1--     -14.051                 27.765                 27.793
 Raman3 Fr= 1--      10.180                  3.937                  2.893
 ROA3   Fr= 1--    -904.062                262.533                 95.406
 CID3   Fr= 1--     -88.806                 66.690                 32.982
 RC180  Fr= 1--       0.705                 -0.494                 -0.087
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.04  -0.17  -0.07     0.05   0.06  -0.05    -0.09  -0.09   0.10
     2   6     0.08  -0.06   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.01
     3   6     0.02   0.09   0.08    -0.02  -0.03   0.01     0.01   0.00  -0.03
     4   1     0.04   0.05   0.12     0.08   0.10  -0.13    -0.09  -0.08   0.06
     5   6    -0.12  -0.01  -0.08     0.01  -0.00   0.01     0.01  -0.01   0.02
     6   1    -0.04  -0.09  -0.18     0.05   0.07  -0.05     0.05   0.05  -0.03
     7   6    -0.04  -0.03  -0.05    -0.00   0.00   0.00    -0.01  -0.00   0.02
     8   1     0.03   0.03  -0.03    -0.04  -0.03   0.03     0.09   0.09  -0.13
     9   6     0.02  -0.03   0.01     0.01   0.02  -0.02    -0.01   0.00   0.00
    10   6    -0.03   0.10   0.05    -0.02  -0.03   0.03     0.01   0.00  -0.02
    11   6     0.08  -0.07  -0.00     0.01   0.02  -0.02     0.00   0.01  -0.01
    12   6     0.00  -0.09   0.01    -0.03  -0.01   0.05    -0.02  -0.02   0.04
    13   6    -0.02  -0.01  -0.06     0.05   0.04  -0.08     0.00  -0.00   0.03
    14   6    -0.01   0.12   0.07    -0.03  -0.05   0.05     0.01  -0.00  -0.03
    15   6     0.02  -0.06  -0.08    -0.01   0.01   0.02     0.05   0.01  -0.10
    16   6    -0.04   0.04   0.08     0.00  -0.02   0.03    -0.04  -0.05   0.12
    17   6     0.16   0.07   0.04    -0.03  -0.01  -0.01    -0.01   0.01  -0.09
    18   6     0.00  -0.05  -0.03    -0.02  -0.00   0.03     0.02   0.03  -0.02
    19   6    -0.02  -0.08  -0.06     0.01   0.04  -0.10     0.02  -0.00   0.10
    20   6     0.05  -0.01   0.05    -0.02  -0.03   0.13    -0.01   0.04  -0.10
    21   6     0.08  -0.05  -0.06    -0.01   0.04  -0.07    -0.01   0.01   0.02
    22   6    -0.13   0.01  -0.09     0.04   0.01  -0.03     0.02   0.01  -0.04
    23   6    -0.06  -0.10   0.02     0.04  -0.01   0.10     0.01   0.03  -0.01
    24   6    -0.08   0.12   0.02     0.02  -0.01  -0.05    -0.00  -0.02   0.07
    25   6    -0.03   0.07   0.04     0.02  -0.04   0.02     0.01  -0.05   0.04
    26   6    -0.01  -0.01  -0.06    -0.02   0.06  -0.13    -0.01   0.02  -0.08
    27   6     0.09   0.01   0.03    -0.01  -0.03   0.07    -0.00  -0.03   0.05
    28   6     0.15   0.05   0.02    -0.04  -0.03   0.03    -0.01  -0.03   0.05
    29   6    -0.11   0.08   0.04     0.03  -0.02  -0.04     0.00   0.00  -0.02
    30   6    -0.07  -0.08  -0.02     0.02   0.03   0.02     0.00   0.03  -0.00
    31   1    -0.08   0.07  -0.03     0.19   0.16  -0.25    -0.08  -0.08   0.14
    32   1     0.13   0.11   0.04     0.14   0.11  -0.26    -0.06  -0.05   0.07
    33   1     0.13   0.07   0.14     0.03   0.06  -0.19    -0.12  -0.15   0.25
    34   1    -0.22  -0.09   0.15     0.02  -0.01   0.02    -0.08  -0.12   0.31
    35   1     0.10  -0.11   0.34    -0.09  -0.10   0.26    -0.05  -0.06   0.19
    36   1    -0.21  -0.05   0.22    -0.04  -0.15   0.35     0.03   0.03  -0.09
    37   1    -0.15   0.08  -0.06     0.05   0.04  -0.10     0.04   0.16  -0.36
    38   1     0.06   0.02   0.13     0.01  -0.08   0.13     0.01   0.07  -0.33
    39   1    -0.03   0.09  -0.12    -0.03   0.09  -0.27    -0.04   0.09  -0.25
    40   1     0.17  -0.01  -0.23    -0.12   0.17  -0.32    -0.08   0.16  -0.34
    41  35     0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.04  -0.07  -0.11    -0.09   0.14  -0.17    -0.01  -0.01   0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --    855.3348               856.4748               865.9647
 Red. masses --      4.6408                 3.1863                 1.7331
 Frc consts  --      2.0004                 1.3771                 0.7657
 IR Inten    --      3.3355                 7.1146                91.6861
 RamAct Fr= 1--     13.0354                 5.8891                 0.9327
  Dep-P Fr= 1--      0.0786                 0.1389                 0.4179
  Dep-U Fr= 1--      0.1457                 0.2439                 0.5895
 Alpha2 Fr= 1--      0.2404                 0.0936                 0.0065
 Beta2  Fr= 1--      0.3165                 0.2394                 0.0916
 AlphaG Fr= 1--      0.2299                 0.0938                -0.0163
 Gamma2 Fr= 1--     -2.9416                 1.0629                -0.2359
 Delta2 Fr= 1--     -2.3663                 0.2884                -1.0168
 Raman1 Fr= 1--      52.142                 23.556                  3.731
 ROA1   Fr= 1--    -358.119                111.263                -55.185
 CID1   Fr= 1--      -6.868                  4.723                -14.791
 Raman2 Fr= 1--       3.798                  2.873                  1.100
 ROA2   Fr= 1--     -51.669                 23.202                  2.472
 CID2   Fr= 1--     -13.606                  8.075                  2.248
 Raman3 Fr= 1--       7.595                  5.746                  2.199
 ROA3   Fr= 1--    -358.119                111.263                -55.185
 CID3   Fr= 1--     -47.152                 19.363                -25.092
 RC180  Fr= 1--      -0.709                 -0.512                  0.179
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.03   0.15   0.24     0.07   0.12  -0.02    -0.03  -0.01   0.05
     2   6    -0.08   0.12   0.04    -0.02   0.03   0.01    -0.01   0.02  -0.01
     3   6     0.02  -0.02  -0.04     0.00  -0.02  -0.01     0.01  -0.01  -0.02
     4   1     0.04  -0.08   0.02    -0.02  -0.06   0.03    -0.06  -0.07   0.05
     5   6     0.07  -0.02   0.08     0.04   0.02  -0.01     0.02  -0.00   0.01
     6   1     0.11   0.13   0.03    -0.11  -0.11   0.18     0.01  -0.00   0.03
     7   6     0.05  -0.01   0.04     0.02   0.02  -0.01    -0.01   0.00   0.01
     8   1     0.12   0.05  -0.04    -0.08  -0.07   0.10     0.03   0.04  -0.06
     9   6    -0.00  -0.05  -0.02    -0.01  -0.01   0.01    -0.01   0.00  -0.00
    10   6     0.10  -0.19  -0.05     0.04  -0.02  -0.04     0.02  -0.01  -0.02
    11   6    -0.07   0.12  -0.07    -0.06  -0.02   0.04    -0.02  -0.00   0.01
    12   6    -0.16   0.04   0.00     0.08   0.06  -0.13     0.02   0.01  -0.02
    13   6    -0.00   0.07  -0.05    -0.09  -0.06   0.14    -0.03  -0.02   0.07
    14   6    -0.01   0.04   0.06     0.05   0.04  -0.07     0.02   0.01  -0.03
    15   6    -0.05  -0.01  -0.09    -0.06  -0.02   0.15     0.01  -0.00  -0.00
    16   6     0.05  -0.01   0.07     0.03   0.03  -0.09    -0.02  -0.03   0.08
    17   6     0.08   0.04   0.03     0.02   0.01   0.01     0.01   0.02  -0.06
    18   6    -0.03  -0.04  -0.01     0.02   0.01  -0.08     0.02   0.03  -0.05
    19   6    -0.08  -0.11   0.02    -0.03  -0.00  -0.13    -0.00   0.00  -0.01
    20   6    -0.02  -0.04  -0.03     0.00  -0.02   0.05    -0.01  -0.02   0.09
    21   6    -0.07   0.04   0.01     0.01   0.00  -0.02     0.01   0.03  -0.07
    22   6     0.12   0.00  -0.00    -0.00  -0.01   0.04     0.02   0.03  -0.06
    23   6    -0.05  -0.11  -0.02     0.00  -0.07   0.09     0.00   0.02  -0.01
    24   6     0.04  -0.05  -0.02     0.01  -0.01   0.00     0.00   0.01  -0.06
    25   6    -0.02   0.20   0.07    -0.00   0.03   0.08     0.00   0.00  -0.07
    26   6    -0.02   0.04   0.02    -0.02   0.05  -0.12     0.01  -0.02   0.07
    27   6     0.04   0.03   0.01     0.03  -0.01   0.06    -0.01   0.02  -0.03
    28   6     0.07   0.04   0.00     0.03   0.00   0.03    -0.03   0.00  -0.03
    29   6    -0.01   0.02   0.02    -0.01   0.02  -0.01     0.02  -0.02  -0.00
    30   6     0.02  -0.13  -0.08     0.00  -0.03  -0.01     0.01   0.02   0.01
    31   1     0.08  -0.21  -0.24    -0.18  -0.22   0.27    -0.09  -0.12   0.15
    32   1    -0.16   0.19  -0.10    -0.19  -0.12   0.26    -0.08  -0.04   0.08
    33   1     0.08   0.18  -0.01    -0.09  -0.07   0.31    -0.11  -0.12   0.27
    34   1    -0.10  -0.03   0.02    -0.06  -0.04   0.05    -0.11  -0.14   0.32
    35   1    -0.14  -0.04   0.02     0.01   0.01  -0.06    -0.07  -0.13   0.38
    36   1     0.15  -0.16   0.05     0.02   0.01  -0.05    -0.07  -0.13   0.36
    37   1    -0.09  -0.19  -0.06    -0.03   0.04  -0.28     0.02  -0.08   0.30
    38   1    -0.15   0.22   0.11    -0.03   0.11  -0.12     0.01  -0.14   0.33
    39   1     0.05   0.04   0.01    -0.01   0.08  -0.18     0.03  -0.05   0.12
    40   1     0.10  -0.02  -0.02    -0.01   0.11  -0.29     0.01  -0.09   0.23
    41  35    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    42   1     0.22  -0.19  -0.05    -0.02   0.07  -0.24    -0.01   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --    888.0190               928.7696               935.3448
 Red. masses --      1.8112                 2.7486                 1.9265
 Frc consts  --      0.8415                 1.3969                 0.9931
 IR Inten    --      3.8498                 7.0574                 7.6546
 RamAct Fr= 1--      0.4171                40.0068                14.6080
  Dep-P Fr= 1--      0.6852                 0.0821                 0.0999
  Dep-U Fr= 1--      0.8132                 0.1518                 0.1816
 Alpha2 Fr= 1--      0.0005                 0.7316                 0.2558
 Beta2  Fr= 1--      0.0565                 1.0119                 0.4422
 AlphaG Fr= 1--     -0.0194                 2.1004                 0.9758
 Gamma2 Fr= 1--      0.8034                -8.9845                -1.2222
 Delta2 Fr= 1--     -0.0152                -2.6710                 2.5595
 Raman1 Fr= 1--       1.669                160.027                 58.432
 ROA1   Fr= 1--      76.642               -947.987                -35.429
 CID1   Fr= 1--      45.932                 -5.924                 -0.606
 Raman2 Fr= 1--       0.678                 12.142                  5.307
 ROA2   Fr= 1--      19.403               -194.261                -49.809
 CID2   Fr= 1--      28.600                -15.999                 -9.386
 Raman3 Fr= 1--       1.357                 24.285                 10.614
 ROA3   Fr= 1--      76.642               -947.987                -35.429
 CID3   Fr= 1--      56.484                -39.037                 -3.338
 RC180  Fr= 1--       0.626                 -0.696                 -0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.23   0.23  -0.24     0.00  -0.05  -0.03    -0.01   0.03   0.03
     2   6    -0.04  -0.06   0.05     0.04  -0.02   0.01    -0.03   0.02  -0.01
     3   6    -0.04  -0.04   0.04     0.01   0.07   0.07    -0.01  -0.05  -0.04
     4   1     0.26   0.28  -0.31     0.05   0.05   0.09     0.00  -0.00  -0.10
     5   6     0.01   0.03  -0.03    -0.05   0.00  -0.04     0.04  -0.01   0.03
     6   1    -0.17  -0.15   0.20    -0.04  -0.02  -0.06     0.04   0.02   0.02
     7   6     0.07   0.06  -0.08     0.06  -0.06  -0.01    -0.04   0.05  -0.00
     8   1    -0.30  -0.30   0.40     0.08  -0.05   0.08    -0.09   0.00  -0.01
     9   6    -0.07  -0.06   0.09     0.02  -0.02   0.01    -0.02   0.01  -0.01
    10   6     0.03   0.02  -0.04    -0.02   0.05   0.01     0.02  -0.03  -0.01
    11   6     0.07   0.07  -0.07    -0.03  -0.02  -0.03     0.03   0.02   0.02
    12   6    -0.04  -0.01   0.05    -0.08  -0.00  -0.08     0.06  -0.00   0.04
    13   6     0.01   0.00  -0.01    -0.01  -0.03   0.01     0.01   0.02  -0.00
    14   6     0.01   0.00  -0.02     0.00   0.02   0.00    -0.00  -0.00   0.00
    15   6     0.01  -0.00  -0.04    -0.12  -0.03  -0.03     0.07   0.00   0.03
    16   6    -0.01  -0.01   0.03    -0.02  -0.00  -0.01     0.02   0.01  -0.00
    17   6     0.01   0.01  -0.02     0.06   0.04   0.05    -0.03  -0.02  -0.03
    18   6    -0.00  -0.00  -0.00     0.04   0.06   0.01    -0.03  -0.04  -0.01
    19   6     0.00  -0.00   0.02    -0.09  -0.03  -0.03     0.05   0.01  -0.04
    20   6    -0.00   0.00  -0.01    -0.02   0.02   0.00     0.01  -0.02   0.02
    21   6    -0.00   0.00  -0.00     0.03  -0.02   0.01    -0.02   0.02  -0.02
    22   6     0.01   0.00  -0.01     0.10  -0.01   0.01    -0.07   0.00   0.01
    23   6    -0.00   0.01  -0.01     0.00  -0.02   0.05     0.03  -0.02   0.05
    24   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.03   0.00
    25   6     0.00  -0.00  -0.01     0.00  -0.05  -0.01    -0.00   0.01   0.01
    26   6     0.00  -0.00   0.01     0.02   0.03  -0.02    -0.01  -0.01  -0.02
    27   6    -0.00   0.00  -0.00     0.02   0.05   0.06     0.00  -0.05   0.03
    28   6    -0.00  -0.00   0.00    -0.09  -0.04  -0.03     0.03   0.02  -0.04
    29   6     0.00  -0.00  -0.00     0.09  -0.07  -0.00    -0.05   0.02   0.07
    30   6     0.00  -0.00   0.01     0.02   0.11  -0.10    -0.06   0.05  -0.12
    31   1    -0.05  -0.05   0.09    -0.08  -0.00   0.03     0.04  -0.01  -0.02
    32   1    -0.11  -0.11   0.21     0.04  -0.01   0.03    -0.04   0.01  -0.01
    33   1    -0.02  -0.02   0.09     0.11   0.02  -0.06    -0.07  -0.01   0.05
    34   1    -0.02  -0.01   0.03    -0.12   0.05   0.12     0.08  -0.02  -0.11
    35   1    -0.01  -0.02   0.04    -0.05  -0.09  -0.13     0.02   0.03   0.15
    36   1     0.00  -0.01   0.01     0.09  -0.01   0.08    -0.04   0.02  -0.13
    37   1     0.00   0.01   0.01     0.05   0.05   0.02    -0.03   0.02  -0.00
    38   1     0.01  -0.01   0.01    -0.03  -0.03  -0.07     0.05  -0.01   0.02
    39   1     0.00  -0.00   0.01     0.10   0.13  -0.21    -0.09   0.07  -0.25
    40   1    -0.00  -0.00   0.01    -0.07  -0.10   0.14     0.08  -0.12   0.19
    41  35    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1    -0.01   0.01  -0.02     0.19  -0.27   0.69     0.18  -0.36   0.72
                     55                     56                     57
                      A                      A                      A
 Frequencies --    938.8060               950.7624               952.9544
 Red. masses --      4.1303                 1.3158                 1.3181
 Frc consts  --      2.1448                 0.7008                 0.7052
 IR Inten    --      9.0743                 1.3880                 1.3299
 RamAct Fr= 1--      5.3202                13.4940                 8.3428
  Dep-P Fr= 1--      0.6846                 0.2602                 0.5459
  Dep-U Fr= 1--      0.8127                 0.4129                 0.7062
 Alpha2 Fr= 1--      0.0061                 0.1554                 0.0326
 Beta2  Fr= 1--      0.7207                 0.9287                 0.9820
 AlphaG Fr= 1--      0.0116                -1.3030                -0.3414
 Gamma2 Fr= 1--     -2.5918               -21.3072                -0.0662
 Delta2 Fr= 1--      0.6787                -6.8873                 0.8649
 Raman1 Fr= 1--      21.281                 53.976                 33.371
 ROA1   Fr= 1--    -227.095              -2265.881                 21.326
 CID1   Fr= 1--     -10.671                -41.979                  0.639
 Raman2 Fr= 1--       8.648                 11.144                 11.784
 ROA2   Fr= 1--     -67.632               -456.274                 -8.507
 CID2   Fr= 1--      -7.821                -40.942                 -0.722
 Raman3 Fr= 1--      17.296                 22.289                 23.568
 ROA3   Fr= 1--    -227.095              -2265.881                 21.326
 CID3   Fr= 1--     -13.130               -101.660                  0.905
 RC180  Fr= 1--       0.625                 -0.174                  0.412
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02  -0.19  -0.11    -0.01  -0.03   0.01     0.08   0.08  -0.09
     2   6     0.08  -0.09  -0.03     0.01  -0.00  -0.00    -0.01  -0.02   0.02
     3   6    -0.01   0.05   0.04     0.00   0.01   0.01    -0.01  -0.01  -0.00
     4   1    -0.05   0.07   0.03    -0.02  -0.01   0.03     0.03   0.04  -0.05
     5   6    -0.08   0.01  -0.05    -0.02  -0.01   0.00     0.04   0.04  -0.05
     6   1    -0.06   0.06  -0.07     0.05   0.06  -0.07    -0.24  -0.24   0.30
     7   6     0.06  -0.06  -0.01     0.02  -0.01  -0.01    -0.03  -0.03   0.04
     8   1     0.07  -0.06   0.07    -0.01  -0.04   0.05     0.19   0.18  -0.24
     9   6     0.01   0.03   0.03     0.01   0.00  -0.00    -0.00   0.00   0.01
    10   6    -0.06   0.11   0.05    -0.01  -0.00   0.02     0.02   0.03  -0.04
    11   6     0.02  -0.04   0.02    -0.01  -0.00  -0.00     0.02   0.01  -0.00
    12   6    -0.04   0.12   0.03    -0.01   0.01  -0.01    -0.00   0.00   0.01
    13   6     0.01  -0.02   0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   6     0.03  -0.16  -0.09     0.01   0.00  -0.02    -0.02  -0.04   0.04
    15   6    -0.03   0.19   0.00    -0.01   0.00  -0.00     0.00   0.01  -0.00
    16   6    -0.01  -0.03   0.04    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6    -0.05  -0.02  -0.07     0.01   0.02  -0.02    -0.02  -0.02   0.03
    18   6    -0.00  -0.00   0.01    -0.01  -0.01   0.04     0.01   0.01  -0.04
    19   6    -0.03   0.13   0.03    -0.01  -0.01   0.01     0.01   0.02   0.01
    20   6    -0.02  -0.03   0.02    -0.00   0.00  -0.01     0.00   0.00  -0.01
    21   6    -0.00   0.00   0.00     0.01   0.01  -0.03    -0.01  -0.01   0.03
    22   6     0.08   0.01  -0.02     0.01  -0.02   0.04     0.00   0.01  -0.02
    23   6    -0.01  -0.05   0.02    -0.01   0.00  -0.02    -0.00   0.00  -0.01
    24   6     0.09  -0.15  -0.07     0.00  -0.03   0.05     0.00  -0.02   0.01
    25   6    -0.02   0.12   0.06     0.00   0.02  -0.05    -0.00   0.01  -0.00
    26   6    -0.04   0.02   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    27   6    -0.02  -0.07  -0.02     0.01  -0.02   0.06     0.00  -0.03   0.04
    28   6     0.09   0.05   0.01    -0.02   0.03  -0.07     0.00   0.03  -0.05
    29   6    -0.04   0.05   0.04     0.01  -0.01  -0.01    -0.01   0.01   0.00
    30   6    -0.02  -0.11  -0.09     0.01  -0.02   0.04    -0.00  -0.02   0.01
    31   1     0.13   0.27   0.13     0.07   0.08  -0.11    -0.16  -0.14   0.27
    32   1     0.12  -0.30   0.08    -0.05  -0.06   0.10     0.16   0.12  -0.27
    33   1    -0.13  -0.08   0.14    -0.05  -0.07   0.18     0.07   0.09  -0.23
    34   1     0.06   0.00  -0.03     0.07   0.09  -0.19    -0.08  -0.10   0.21
    35   1    -0.03  -0.02  -0.02    -0.04  -0.09   0.22     0.03   0.06  -0.15
    36   1     0.04  -0.04   0.16     0.07   0.08  -0.24    -0.03  -0.04   0.12
    37   1    -0.04  -0.33   0.04     0.01   0.11  -0.36    -0.00   0.01  -0.11
    38   1    -0.26   0.20  -0.00     0.00  -0.11   0.34    -0.01  -0.01   0.06
    39   1    -0.11  -0.06  -0.01    -0.05   0.15  -0.38    -0.06   0.10  -0.28
    40   1     0.08   0.08   0.02     0.06  -0.17   0.41     0.06  -0.11   0.29
    41  35     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.17  -0.22   0.07    -0.05   0.10  -0.21    -0.02   0.03  -0.09
                     58                     59                     60
                      A                      A                      A
 Frequencies --    956.7392               961.3895               966.7778
 Red. masses --      1.3342                 1.3445                 1.3261
 Frc consts  --      0.7196                 0.7322                 0.7303
 IR Inten    --      0.1877                 1.8985                 0.8722
 RamAct Fr= 1--      2.8238                 2.4750                 1.8277
  Dep-P Fr= 1--      0.7343                 0.6935                 0.4703
  Dep-U Fr= 1--      0.8468                 0.8190                 0.6397
 Alpha2 Fr= 1--      0.0008                 0.0024                 0.0103
 Beta2  Fr= 1--      0.3985                 0.3378                 0.1949
 AlphaG Fr= 1--      0.0267                 0.0090                 0.0219
 Gamma2 Fr= 1--      5.6793                 7.5725               -11.1418
 Delta2 Fr= 1--     -1.2458                 3.0680                 0.9685
 Raman1 Fr= 1--      11.295                  9.900                  7.311
 ROA1   Fr= 1--     505.345                825.136              -1038.618
 CID1   Fr= 1--      44.740                 83.348               -142.067
 Raman2 Fr= 1--       4.782                  4.054                  2.339
 ROA2   Fr= 1--     146.268                157.196               -275.151
 CID2   Fr= 1--      30.584                 38.775               -117.660
 Raman3 Fr= 1--       9.565                  8.108                  4.677
 ROA3   Fr= 1--     505.345                825.136              -1038.618
 CID3   Fr= 1--      52.833                101.766               -222.067
 RC180  Fr= 1--       0.694                  0.638                  0.279
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.07   0.07  -0.08    -0.04  -0.05   0.03    -0.02  -0.02   0.02
     2   6    -0.01  -0.02   0.02     0.01   0.00  -0.01     0.01   0.01  -0.01
     3   6    -0.00   0.00   0.01     0.00   0.01   0.00     0.01   0.01   0.00
     4   1     0.04   0.04  -0.03    -0.02  -0.01   0.02    -0.03  -0.04   0.05
     5   6     0.03   0.04  -0.05    -0.02  -0.02   0.02    -0.02  -0.02   0.02
     6   1    -0.24  -0.24   0.28     0.11   0.12  -0.14     0.11   0.11  -0.14
     7   6    -0.02  -0.04   0.04     0.02   0.01  -0.03     0.02   0.01  -0.02
     8   1     0.22   0.19  -0.24    -0.11  -0.12   0.15    -0.10  -0.11   0.14
     9   6     0.00   0.00   0.00    -0.01  -0.00   0.01    -0.00  -0.00   0.01
    10   6     0.00   0.01  -0.01     0.02   0.03  -0.03     0.03   0.03  -0.05
    11   6     0.01   0.01  -0.01    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    12   6    -0.02   0.01  -0.01    -0.00   0.01  -0.00    -0.01  -0.00  -0.01
    13   6     0.00   0.00  -0.01     0.00  -0.00   0.01     0.00   0.00  -0.01
    14   6    -0.01  -0.01   0.02    -0.01  -0.03   0.02    -0.02  -0.02   0.05
    15   6    -0.01   0.00  -0.00    -0.00   0.02   0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00  -0.00     0.01   0.01  -0.02    -0.00   0.00  -0.01
    17   6     0.02   0.02  -0.03    -0.03  -0.03   0.05     0.00   0.00  -0.00
    18   6    -0.01  -0.02   0.05     0.02   0.03  -0.05    -0.00  -0.00   0.02
    19   6    -0.01  -0.01  -0.00     0.01   0.01  -0.00    -0.01  -0.00   0.02
    20   6    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    21   6     0.01   0.02  -0.06     0.00   0.02  -0.04     0.01   0.02  -0.05
    22   6     0.01  -0.02   0.05    -0.00  -0.02   0.05    -0.00  -0.02   0.04
    23   6    -0.00  -0.01   0.01     0.00  -0.01   0.01    -0.00   0.01  -0.02
    24   6     0.00  -0.00   0.00     0.01  -0.03   0.04     0.00   0.02  -0.07
    25   6    -0.00   0.00  -0.02    -0.00   0.03  -0.05    -0.00  -0.02   0.07
    26   6     0.00   0.00   0.01    -0.00  -0.00   0.01     0.00   0.00  -0.01
    27   6    -0.00   0.02  -0.04    -0.01   0.00  -0.04     0.00  -0.01   0.03
    28   6    -0.00  -0.02   0.04     0.01  -0.01   0.03    -0.00   0.01  -0.02
    29   6     0.01  -0.01  -0.00    -0.01   0.01   0.01     0.00   0.00  -0.01
    30   6     0.00   0.01  -0.02    -0.01  -0.00  -0.02     0.00  -0.01   0.02
    31   1    -0.04  -0.03   0.06    -0.12  -0.10   0.22    -0.19  -0.17   0.28
    32   1     0.08   0.05  -0.11     0.10   0.06  -0.16     0.16   0.14  -0.28
    33   1    -0.07  -0.09   0.24     0.11   0.12  -0.35    -0.01  -0.02   0.03
    34   1     0.11   0.13  -0.28    -0.12  -0.13   0.31     0.04   0.04  -0.08
    35   1    -0.06  -0.13   0.34    -0.04  -0.07   0.22    -0.04  -0.10   0.29
    36   1     0.09   0.11  -0.31     0.07   0.09  -0.29     0.06   0.09  -0.25
    37   1     0.01   0.01  -0.02     0.00   0.07  -0.31    -0.00  -0.13   0.40
    38   1    -0.01  -0.03   0.09    -0.00  -0.11   0.35    -0.03   0.14  -0.39
    39   1     0.05  -0.09   0.25     0.02  -0.09   0.20    -0.03   0.07  -0.17
    40   1    -0.05   0.10  -0.24    -0.02   0.08  -0.17     0.03  -0.06   0.15
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.03  -0.04   0.10     0.03  -0.05   0.07    -0.03   0.05  -0.12
                     61                     62                     63
                      A                      A                      A
 Frequencies --    969.1075               992.4140              1016.1116
 Red. masses --      1.3416                 1.3112                 5.2684
 Frc consts  --      0.7424                 0.7609                 3.2049
 IR Inten    --      0.0444                 0.7215                 6.8018
 RamAct Fr= 1--      0.7546                 1.4721                12.1255
  Dep-P Fr= 1--      0.6857                 0.4197                 0.5424
  Dep-U Fr= 1--      0.8136                 0.5912                 0.7033
 Alpha2 Fr= 1--      0.0009                 0.0101                 0.0484
 Beta2  Fr= 1--      0.1023                 0.1451                 1.4213
 AlphaG Fr= 1--     -0.0050                -0.2193                 0.0718
 Gamma2 Fr= 1--      0.1122                -3.9306               -14.1938
 Delta2 Fr= 1--      0.6176                 0.4707                 0.0553
 Raman1 Fr= 1--       3.018                  5.888                 48.502
 ROA1   Fr= 1--      30.533               -362.280              -1360.831
 CID1   Fr= 1--      10.116                -61.525                -28.057
 Raman2 Fr= 1--       1.228                  1.741                 17.056
 ROA2   Fr= 1--      -2.249                -98.101               -341.093
 CID2   Fr= 1--      -1.832                -56.357                -19.999
 Raman3 Fr= 1--       2.456                  3.481                 34.112
 ROA3   Fr= 1--      30.533               -362.280              -1360.831
 CID3   Fr= 1--      12.435               -104.061                -39.893
 RC180  Fr= 1--       0.627                  0.182                  0.407
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02  -0.02   0.02     0.44   0.44  -0.42     0.07   0.12  -0.05
     2   6     0.00   0.01  -0.01    -0.05  -0.08   0.07    -0.02   0.01   0.03
     3   6     0.00   0.00  -0.01     0.05   0.05  -0.08     0.03   0.13   0.12
     4   1    -0.03  -0.04   0.03    -0.32  -0.37   0.37     0.03   0.07   0.18
     5   6    -0.01  -0.02   0.02    -0.03  -0.00   0.01     0.01  -0.01  -0.02
     6   1     0.10   0.10  -0.11     0.06   0.11  -0.10     0.02  -0.09  -0.02
     7   6     0.01   0.02  -0.02    -0.01   0.00   0.01     0.09  -0.10  -0.00
     8   1    -0.10  -0.09   0.12     0.01   0.01   0.03     0.11  -0.10   0.01
     9   6    -0.00  -0.00   0.01     0.01   0.01  -0.01    -0.00  -0.01  -0.00
    10   6     0.03   0.03  -0.05    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.01  -0.01   0.01     0.02   0.01  -0.00    -0.13   0.00  -0.14
    12   6     0.01   0.01  -0.01    -0.00   0.00   0.02    -0.14  -0.10  -0.15
    13   6     0.00   0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.04  -0.01
    14   6    -0.03  -0.03   0.05     0.00  -0.01  -0.00     0.00   0.07   0.03
    15   6    -0.00  -0.01   0.01     0.00  -0.00  -0.00     0.01  -0.05   0.07
    16   6    -0.00  -0.01   0.01    -0.00   0.00   0.00     0.01  -0.02  -0.00
    17   6     0.02   0.03  -0.05     0.00   0.00   0.00    -0.07  -0.04  -0.05
    18   6    -0.02  -0.03   0.06    -0.00  -0.01  -0.01     0.09   0.12   0.10
    19   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.23   0.01  -0.02
    20   6     0.00   0.00  -0.01     0.00   0.00  -0.00     0.03  -0.03   0.01
    21   6    -0.01  -0.02   0.05     0.00  -0.00   0.00    -0.15   0.07   0.01
    22   6     0.01   0.02  -0.05    -0.00  -0.00   0.00     0.06  -0.01  -0.00
    23   6    -0.00  -0.01   0.01     0.00  -0.00   0.01     0.15   0.08  -0.00
    24   6    -0.00  -0.01   0.04    -0.00   0.00   0.00    -0.03   0.05   0.01
    25   6     0.00   0.01  -0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.02   0.00
    27   6     0.00   0.01  -0.01    -0.00  -0.00  -0.00    -0.05  -0.13  -0.04
    28   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00     0.07   0.04   0.00
    29   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.15   0.09   0.07
    30   6     0.00   0.01  -0.01    -0.00   0.00  -0.01    -0.07  -0.02   0.00
    31   1    -0.19  -0.18   0.29     0.02   0.02  -0.02    -0.10  -0.08  -0.11
    32   1     0.18   0.16  -0.31     0.01  -0.01   0.00    -0.02   0.08   0.04
    33   1    -0.11  -0.11   0.32     0.00   0.02  -0.01    -0.02  -0.35  -0.06
    34   1     0.14   0.13  -0.32    -0.01  -0.01   0.01     0.25   0.08   0.11
    35   1     0.04   0.09  -0.29     0.00   0.00   0.00    -0.21   0.03  -0.06
    36   1    -0.07  -0.09   0.30    -0.00   0.00  -0.00     0.11  -0.29   0.01
    37   1     0.00   0.07  -0.23     0.00   0.00  -0.01    -0.02   0.07   0.02
    38   1     0.01  -0.07   0.21     0.00  -0.00   0.01     0.16  -0.04  -0.01
    39   1     0.02  -0.03   0.08     0.00  -0.00   0.01    -0.21  -0.10  -0.02
    40   1    -0.01   0.03  -0.06    -0.00   0.01  -0.01     0.08   0.01   0.02
    41  35    -0.00   0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.00
    42   1     0.02  -0.02   0.05     0.01  -0.01   0.03    -0.18  -0.01   0.05
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1063.0745              1074.6903              1105.5123
 Red. masses --      2.4499                 2.9125                 2.3834
 Frc consts  --      1.6313                 1.9819                 1.7162
 IR Inten    --      3.3335                 0.5562                15.2292
 RamAct Fr= 1--     19.1289                44.9315                49.7855
  Dep-P Fr= 1--      0.1883                 0.0857                 0.1594
  Dep-U Fr= 1--      0.3170                 0.1579                 0.2750
 Alpha2 Fr= 1--      0.2679                 0.8145                 0.7514
 Beta2  Fr= 1--      1.0106                 1.1825                 2.2819
 AlphaG Fr= 1--     -1.1037                 3.2300                -0.7912
 Gamma2 Fr= 1--     -1.8408               -13.2634                -7.1106
 Delta2 Fr= 1--     -1.1274                 3.5490                 2.5262
 Raman1 Fr= 1--      76.516                179.726                199.142
 ROA1   Fr= 1--    -212.797              -1159.714               -601.775
 CID1   Fr= 1--      -2.781                 -6.453                 -3.022
 Raman2 Fr= 1--      12.127                 14.190                 27.383
 ROA2   Fr= 1--     -35.161               -346.713               -190.863
 CID2   Fr= 1--      -2.899                -24.433                 -6.970
 Raman3 Fr= 1--      24.255                 28.381                 54.766
 ROA3   Fr= 1--    -212.797              -1159.714               -601.775
 CID3   Fr= 1--      -8.773                -40.863                -10.988
 RC180  Fr= 1--      -0.366                 -0.684                 -0.450
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.22   0.03  -0.42    -0.07  -0.11  -0.19    -0.02   0.02  -0.02
     2   6    -0.12   0.05  -0.03     0.02  -0.06  -0.04    -0.02   0.02   0.00
     3   6    -0.05   0.15   0.08    -0.04   0.09   0.04     0.00  -0.01  -0.01
     4   1    -0.27   0.23   0.05    -0.28   0.20  -0.02     0.04  -0.03   0.00
     5   6     0.18  -0.07   0.07     0.04  -0.01   0.02     0.01  -0.01   0.00
     6   1     0.29  -0.34  -0.05     0.03   0.03   0.05     0.04  -0.07  -0.03
     7   6    -0.00  -0.06  -0.05     0.07  -0.10  -0.03    -0.02   0.03   0.00
     8   1    -0.24  -0.25  -0.36    -0.04  -0.19  -0.16    -0.02   0.03   0.01
     9   6    -0.03  -0.01  -0.03    -0.04   0.04  -0.01     0.01  -0.02  -0.00
    10   6    -0.00   0.00   0.01     0.02  -0.00   0.01    -0.01   0.01   0.00
    11   6     0.03  -0.04  -0.03    -0.03   0.02   0.02     0.02  -0.02   0.00
    12   6     0.03  -0.05   0.02    -0.01   0.15   0.04     0.01  -0.03   0.01
    13   6     0.01  -0.01  -0.00     0.01   0.08   0.04     0.00  -0.02  -0.01
    14   6     0.01   0.03   0.02     0.01  -0.10  -0.04    -0.00   0.02   0.01
    15   6     0.03   0.02   0.00    -0.01   0.00  -0.01    -0.01   0.02  -0.00
    16   6    -0.00   0.01  -0.00     0.04   0.01   0.01    -0.02   0.00  -0.01
    17   6    -0.01  -0.00  -0.00    -0.02   0.00   0.00     0.01  -0.00   0.00
    18   6     0.00   0.01   0.01    -0.03  -0.07  -0.05     0.00   0.01   0.01
    19   6    -0.06   0.06   0.01     0.05  -0.14  -0.02    -0.01   0.03   0.01
    20   6    -0.02   0.03   0.01     0.05  -0.07  -0.02    -0.02   0.02   0.01
    21   6     0.05  -0.03  -0.00    -0.07   0.05   0.01     0.01  -0.01  -0.00
    22   6    -0.02   0.00  -0.00    -0.01  -0.01  -0.01     0.02   0.00   0.00
    23   6    -0.03  -0.00   0.02    -0.00  -0.05  -0.04     0.03  -0.05  -0.02
    24   6     0.03  -0.04  -0.01    -0.06   0.09   0.03     0.01  -0.02  -0.01
    25   6    -0.00   0.00  -0.00     0.01   0.01   0.01    -0.01   0.00   0.00
    26   6    -0.00   0.01   0.00     0.00  -0.04  -0.01     0.03   0.02   0.00
    27   6    -0.00   0.00   0.00     0.03   0.05   0.02     0.02  -0.08  -0.04
    28   6     0.01   0.01   0.01    -0.05  -0.06  -0.02    -0.14  -0.10  -0.03
    29   6     0.03  -0.02  -0.02    -0.03   0.03   0.02    -0.12   0.19   0.11
    30   6     0.00  -0.03  -0.02     0.02   0.09   0.05     0.09   0.06   0.02
    31   1    -0.01   0.00  -0.02     0.21   0.15   0.25    -0.06  -0.03  -0.06
    32   1     0.02   0.03   0.03    -0.08  -0.05  -0.09     0.06  -0.01   0.03
    33   1     0.00  -0.04  -0.01    -0.08   0.28   0.06     0.03  -0.08  -0.02
    34   1     0.00   0.01   0.00     0.06  -0.12  -0.01    -0.07   0.04  -0.02
    35   1     0.07  -0.01   0.01     0.02   0.13   0.03    -0.05  -0.07  -0.03
    36   1    -0.06   0.13   0.02     0.06  -0.26  -0.06    -0.01   0.08   0.03
    37   1     0.04  -0.03  -0.01    -0.13   0.02   0.01     0.04   0.01   0.00
    38   1    -0.13   0.02   0.02     0.30  -0.04  -0.05    -0.16   0.03   0.02
    39   1    -0.02   0.00   0.01     0.13   0.04  -0.00     0.47  -0.15  -0.12
    40   1    -0.01   0.08   0.03     0.01  -0.26  -0.12    -0.09  -0.29  -0.11
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    42   1     0.03  -0.05  -0.00     0.07   0.12  -0.02     0.61   0.06  -0.22
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1124.4652              1147.3298              1170.5284
 Red. masses --      3.1012                 1.7852                 1.3741
 Frc consts  --      2.3104                 1.3845                 1.1093
 IR Inten    --      4.0035                 9.9911                 4.3620
 RamAct Fr= 1--     21.8046                 1.1403                 7.4225
  Dep-P Fr= 1--      0.1298                 0.3869                 0.7417
  Dep-U Fr= 1--      0.2298                 0.5579                 0.8517
 Alpha2 Fr= 1--      0.3546                 0.0088                 0.0010
 Beta2  Fr= 1--      0.8351                 0.1060                 1.0536
 AlphaG Fr= 1--      0.1285                -0.0615                -0.0083
 Gamma2 Fr= 1--      6.6166                 0.9704                -7.6219
 Delta2 Fr= 1--      3.4150                 0.4300                 1.0592
 Raman1 Fr= 1--      87.218                  4.561                 29.690
 ROA1   Fr= 1--     744.468                106.918               -697.802
 CID1   Fr= 1--       8.536                 23.440                -23.503
 Raman2 Fr= 1--      10.021                  1.272                 12.644
 ROA2   Fr= 1--     131.477                 19.850               -191.398
 CID2   Fr= 1--      13.120                 15.601                -15.138
 Raman3 Fr= 1--      20.042                  2.545                 25.287
 ROA3   Fr= 1--     744.468                106.918               -697.802
 CID3   Fr= 1--      37.145                 42.015                -27.595
 RC180  Fr= 1--      -0.540                  0.116                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.18   0.09   0.23     0.12  -0.03   0.13    -0.12  -0.04  -0.16
     2   6     0.03  -0.02   0.02     0.07  -0.06   0.01    -0.04   0.01  -0.02
     3   6     0.02   0.02   0.03    -0.02   0.02   0.00     0.03  -0.01   0.01
     4   1     0.05   0.00   0.05    -0.22   0.12  -0.07     0.22  -0.12   0.09
     5   6    -0.04   0.01  -0.02    -0.02   0.03   0.01     0.00   0.00   0.00
     6   1    -0.08   0.11   0.03    -0.14   0.33   0.17     0.03  -0.06  -0.03
     7   6     0.06  -0.04   0.02     0.05  -0.08  -0.02    -0.02   0.02   0.00
     8   1     0.14   0.02   0.12    -0.04  -0.15  -0.15    -0.02   0.03   0.00
     9   6    -0.03   0.01  -0.01    -0.05   0.05  -0.01     0.03  -0.00   0.03
    10   6     0.01  -0.01   0.00     0.03  -0.04  -0.00    -0.02   0.00  -0.01
    11   6    -0.12   0.02  -0.11    -0.04   0.05   0.01     0.02  -0.02   0.01
    12   6    -0.04  -0.08  -0.03     0.03  -0.01   0.00    -0.04   0.03  -0.02
    13   6    -0.00  -0.02  -0.01     0.01   0.02   0.01    -0.03   0.03  -0.01
    14   6    -0.00   0.02   0.01    -0.01   0.01   0.00     0.02  -0.03  -0.00
    15   6     0.18   0.04   0.06     0.02  -0.08  -0.00    -0.01  -0.04  -0.01
    16   6     0.11   0.02   0.04     0.00  -0.02  -0.01     0.03  -0.03   0.00
    17   6    -0.11  -0.05  -0.05     0.01   0.02   0.01    -0.02   0.03   0.01
    18   6     0.04   0.03   0.03    -0.01  -0.02  -0.01     0.04  -0.02   0.01
    19   6    -0.07   0.06  -0.01    -0.01  -0.00  -0.01     0.01   0.00  -0.00
    20   6    -0.01   0.01   0.00    -0.03   0.03   0.00     0.03   0.01  -0.00
    21   6     0.06  -0.01   0.01     0.03  -0.02  -0.00    -0.02  -0.01  -0.01
    22   6    -0.12   0.00  -0.03    -0.02   0.02   0.00    -0.02   0.02   0.00
    23   6    -0.14  -0.08   0.01     0.01   0.04   0.02    -0.04   0.01   0.02
    24   6     0.01  -0.02  -0.01     0.02  -0.00   0.00    -0.03   0.00  -0.00
    25   6     0.01   0.02   0.01    -0.01  -0.04  -0.02     0.03  -0.02  -0.01
    26   6    -0.03  -0.03  -0.01     0.02   0.07   0.02    -0.01   0.03   0.01
    27   6     0.04   0.07   0.02    -0.01  -0.07  -0.03     0.04  -0.03  -0.02
    28   6    -0.04  -0.03  -0.01    -0.01   0.03   0.01    -0.02   0.04   0.02
    29   6     0.05  -0.03  -0.02    -0.02   0.03   0.02    -0.00  -0.00  -0.00
    30   6     0.04   0.03   0.00    -0.01  -0.06  -0.03    -0.01  -0.03  -0.01
    31   1     0.00  -0.02  -0.01     0.14   0.05   0.11    -0.07  -0.04  -0.08
    32   1    -0.06   0.05  -0.02    -0.27   0.14  -0.09     0.18  -0.12   0.06
    33   1    -0.11  -0.03  -0.05    -0.02   0.15   0.05    -0.09   0.35   0.08
    34   1     0.44  -0.13   0.15    -0.03  -0.01  -0.02     0.36  -0.15   0.11
    35   1     0.37   0.28   0.13    -0.01  -0.05  -0.02    -0.04  -0.03   0.00
    36   1    -0.12  -0.02  -0.03    -0.08   0.21   0.04    -0.02   0.06  -0.01
    37   1    -0.06  -0.09  -0.02     0.24   0.23   0.08    -0.12  -0.09  -0.02
    38   1     0.00   0.02   0.01    -0.26   0.00   0.01     0.22  -0.06  -0.04
    39   1     0.15   0.06   0.00     0.20  -0.11  -0.07     0.40  -0.09  -0.10
    40   1     0.00  -0.13  -0.06    -0.11   0.33   0.17    -0.15   0.40   0.20
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    42   1     0.31  -0.00  -0.06     0.05  -0.07  -0.03     0.02  -0.04  -0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1172.0035              1181.8128              1183.1430
 Red. masses --      1.3159                 1.1975                 1.1735
 Frc consts  --      1.0649                 0.9854                 0.9678
 IR Inten    --      3.0158                 2.7022                 0.7606
 RamAct Fr= 1--      3.4179                15.6816                13.2385
  Dep-P Fr= 1--      0.5607                 0.1445                 0.2619
  Dep-U Fr= 1--      0.7186                 0.2525                 0.4150
 Alpha2 Fr= 1--      0.0123                 0.2458                 0.1517
 Beta2  Fr= 1--      0.4093                 0.6598                 0.9157
 AlphaG Fr= 1--      0.0091                -0.6271                -0.3991
 Gamma2 Fr= 1--     -2.3088                 3.0822                -2.5315
 Delta2 Fr= 1--      0.8241                 0.7980                 0.8942
 Raman1 Fr= 1--      13.672                 62.727                 52.954
 ROA1   Fr= 1--    -195.269                321.429               -214.413
 CID1   Fr= 1--     -14.283                  5.124                 -4.049
 Raman2 Fr= 1--       4.912                  7.918                 10.989
 ROA2   Fr= 1--     -62.003                 67.590                -67.910
 CID2   Fr= 1--     -12.623                  8.536                 -6.180
 Raman3 Fr= 1--       9.824                 15.836                 21.978
 ROA3   Fr= 1--    -195.269                321.429               -214.413
 CID3   Fr= 1--     -19.877                 20.298                 -9.756
 RC180  Fr= 1--       0.437                 -0.495                 -0.170
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04  -0.02   0.04    -0.09  -0.04  -0.14     0.03   0.03   0.03
     2   6     0.03  -0.02   0.00    -0.02   0.00  -0.02    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00     0.02  -0.00   0.02    -0.01   0.01   0.00
     4   1    -0.06   0.02  -0.02     0.22  -0.11   0.10    -0.05   0.03  -0.02
     5   6    -0.01   0.04   0.03    -0.01   0.00   0.00    -0.00  -0.03  -0.02
     6   1    -0.14   0.39   0.21    -0.01   0.03   0.01     0.07  -0.22  -0.13
     7   6    -0.01  -0.04  -0.04    -0.00   0.01   0.00     0.02   0.01   0.03
     8   1    -0.21  -0.20  -0.33    -0.02   0.00  -0.01     0.15   0.11   0.21
     9   6    -0.01   0.02   0.01     0.01   0.01   0.02    -0.01   0.01  -0.00
    10   6    -0.02  -0.02  -0.02    -0.00  -0.00  -0.00     0.03  -0.00   0.01
    11   6     0.01   0.03   0.03     0.00  -0.01  -0.01    -0.02  -0.01  -0.02
    12   6    -0.00   0.00  -0.01    -0.02  -0.01  -0.02     0.01  -0.02   0.00
    13   6    -0.02  -0.02  -0.02    -0.01   0.03   0.01     0.00   0.01   0.00
    14   6     0.03   0.02   0.02     0.00  -0.02  -0.01    -0.03   0.00  -0.02
    15   6     0.02  -0.01   0.01    -0.00  -0.03  -0.00     0.02  -0.01   0.01
    16   6    -0.01  -0.03  -0.01     0.01   0.00   0.00    -0.01   0.00  -0.00
    17   6     0.00   0.01   0.01    -0.02   0.03   0.01     0.00   0.01   0.00
    18   6     0.02   0.01   0.01     0.02  -0.03  -0.00    -0.00  -0.01  -0.00
    19   6     0.02   0.04   0.01     0.00  -0.01  -0.00     0.02   0.01   0.00
    20   6     0.02   0.02   0.01    -0.01   0.02   0.00    -0.01   0.01   0.00
    21   6    -0.02  -0.02  -0.01     0.01  -0.02  -0.01    -0.01  -0.04  -0.02
    22   6     0.00   0.03   0.01    -0.01   0.01   0.00     0.01   0.04   0.02
    23   6    -0.01  -0.01   0.00     0.03  -0.01  -0.01    -0.00   0.01   0.00
    24   6    -0.01  -0.03  -0.01     0.04   0.00   0.00    -0.02  -0.02  -0.01
    25   6     0.02   0.02   0.01    -0.03  -0.01  -0.00     0.03   0.02   0.01
    26   6    -0.03  -0.03  -0.00    -0.00   0.01   0.00    -0.01  -0.02  -0.00
    27   6     0.01   0.03   0.01    -0.04   0.01   0.01     0.01   0.01   0.00
    28   6     0.00  -0.01  -0.00     0.03  -0.03  -0.02    -0.00   0.00   0.00
    29   6    -0.01  -0.01  -0.00    -0.00   0.01   0.01    -0.01  -0.01  -0.00
    30   6     0.02   0.03   0.00     0.01   0.01   0.00     0.01   0.01   0.00
    31   1    -0.18  -0.16  -0.22     0.02   0.02   0.02     0.21   0.15   0.23
    32   1     0.21  -0.08   0.10    -0.02  -0.02  -0.00    -0.31   0.14  -0.12
    33   1     0.02  -0.01  -0.02    -0.10   0.37   0.10    -0.00   0.04   0.01
    34   1    -0.00   0.01   0.02     0.36  -0.16   0.09     0.01  -0.02  -0.00
    35   1    -0.22  -0.21  -0.09    -0.09  -0.11  -0.05    -0.30  -0.31  -0.14
    36   1    -0.07   0.27   0.06    -0.06   0.18   0.04    -0.11   0.44   0.12
    37   1    -0.20  -0.24  -0.07     0.24   0.22   0.07    -0.19  -0.21  -0.06
    38   1     0.21  -0.02  -0.02    -0.34   0.06   0.03     0.25  -0.03  -0.02
    39   1    -0.09   0.04   0.03    -0.33   0.05   0.08    -0.01   0.01   0.00
    40   1     0.07  -0.19  -0.09     0.13  -0.32  -0.16     0.02  -0.05  -0.02
    41  35     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.03   0.02   0.01    -0.00   0.02  -0.00     0.01   0.01   0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1188.2491              1210.7502              1219.5259
 Red. masses --      1.2217                 3.3310                 1.8274
 Frc consts  --      1.0163                 2.8770                 1.6012
 IR Inten    --      0.9620                 0.2533                 1.8968
 RamAct Fr= 1--      7.6534                24.1236               190.1662
  Dep-P Fr= 1--      0.3093                 0.1258                 0.0784
  Dep-U Fr= 1--      0.4725                 0.2234                 0.1454
 Alpha2 Fr= 1--      0.0763                 0.3963                 3.5091
 Beta2  Fr= 1--      0.6027                 0.8983                 4.6083
 AlphaG Fr= 1--     -0.1161                -0.1653                -0.8249
 Gamma2 Fr= 1--      0.9376                 3.9036                56.0204
 Delta2 Fr= 1--      2.4669                -4.6022               -11.8811
 Raman1 Fr= 1--      30.614                 96.494                760.665
 ROA1   Fr= 1--     168.956                227.473               4997.760
 CID1   Fr= 1--       5.519                  2.357                  6.570
 Raman2 Fr= 1--       7.233                 10.779                 55.300
 ROA2   Fr= 1--       2.768                130.504               1439.537
 CID2   Fr= 1--       0.383                 12.107                 26.032
 Raman3 Fr= 1--      14.465                 21.559                110.599
 ROA3   Fr= 1--     168.956                227.473               4997.760
 CID3   Fr= 1--      11.680                 10.551                 45.188
 RC180  Fr= 1--      -0.055                 -0.553                 -0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.18  -0.11  -0.31    -0.02   0.01  -0.02    -0.04  -0.00  -0.04
     2   6    -0.03   0.00  -0.02     0.00   0.02   0.02    -0.02   0.01  -0.01
     3   6     0.04  -0.01   0.02     0.01   0.00   0.01     0.01   0.00   0.01
     4   1     0.45  -0.23   0.19     0.28  -0.13   0.10     0.10  -0.04   0.05
     5   6    -0.01   0.02   0.01     0.01   0.02   0.02     0.01   0.00   0.01
     6   1    -0.10   0.26   0.13    -0.13   0.38   0.21     0.01  -0.00   0.01
     7   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
     8   1    -0.13  -0.09  -0.18    -0.11  -0.09  -0.15     0.05   0.03   0.06
     9   6     0.00   0.04   0.03    -0.03  -0.03  -0.05    -0.00  -0.02  -0.02
    10   6     0.04  -0.02   0.01    -0.03   0.04   0.01    -0.00  -0.00  -0.00
    11   6     0.03  -0.03   0.01    -0.00  -0.04  -0.05    -0.02  -0.00  -0.02
    12   6    -0.02  -0.02  -0.02     0.04  -0.10   0.01    -0.02   0.09   0.02
    13   6    -0.04   0.03  -0.01     0.12  -0.04   0.05    -0.08   0.04  -0.02
    14   6    -0.02  -0.01  -0.02    -0.00   0.04   0.01     0.01  -0.03  -0.01
    15   6     0.02  -0.00   0.01    -0.04   0.12  -0.01     0.13   0.04   0.05
    16   6     0.00  -0.02  -0.00    -0.04   0.19   0.04    -0.02   0.03   0.00
    17   6     0.03  -0.02   0.00    -0.06  -0.02  -0.03     0.01  -0.02   0.00
    18   6    -0.01   0.03   0.01    -0.01  -0.06  -0.03    -0.01   0.01   0.01
    19   6    -0.00   0.02   0.00    -0.08  -0.06   0.00     0.03  -0.11  -0.02
    20   6     0.01   0.01   0.00    -0.13  -0.12  -0.03    -0.08  -0.08  -0.03
    21   6    -0.00   0.01   0.00     0.07  -0.05  -0.01     0.02  -0.02  -0.01
    22   6    -0.01  -0.01  -0.00     0.08   0.00   0.02     0.02   0.02   0.01
    23   6    -0.01  -0.00   0.00     0.09   0.01  -0.02    -0.02  -0.03  -0.01
    24   6    -0.00  -0.01  -0.00    -0.04   0.04   0.01    -0.01   0.04   0.01
    25   6     0.00   0.00   0.00     0.02   0.07   0.03    -0.00   0.01   0.00
    26   6    -0.01  -0.01  -0.00     0.14  -0.04  -0.03    -0.01   0.01   0.00
    27   6     0.01   0.00   0.00    -0.01  -0.03  -0.01     0.01   0.01   0.00
    28   6    -0.00   0.00   0.00    -0.04  -0.01   0.00     0.01   0.00   0.00
    29   6     0.00  -0.00  -0.00     0.02   0.04   0.02     0.01  -0.01  -0.01
    30   6     0.00   0.00  -0.00    -0.04  -0.00   0.01    -0.02  -0.00   0.00
    31   1     0.23   0.14   0.22    -0.06   0.02  -0.02    -0.01  -0.01  -0.01
    32   1    -0.32   0.12  -0.11    -0.09   0.09  -0.02     0.35  -0.20   0.10
    33   1     0.10  -0.27  -0.07    -0.12   0.12   0.05     0.13  -0.43  -0.15
    34   1    -0.16   0.09  -0.03     0.28  -0.17   0.01    -0.10   0.05  -0.01
    35   1     0.07   0.08   0.04     0.02  -0.10  -0.06    -0.11  -0.15  -0.08
    36   1     0.02  -0.08  -0.02     0.06   0.05   0.07    -0.11   0.42   0.15
    37   1    -0.05  -0.06  -0.02    -0.18  -0.09  -0.06     0.27   0.34   0.12
    38   1     0.04  -0.01  -0.01     0.25   0.03   0.02    -0.04   0.02   0.01
    39   1     0.03   0.00  -0.00    -0.01  -0.04  -0.01     0.13  -0.01  -0.02
    40   1    -0.00  -0.00  -0.00    -0.12   0.23   0.12    -0.03   0.11   0.05
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.03  -0.00  -0.01    -0.22   0.02   0.05    -0.03  -0.00   0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1231.0131              1239.9966              1247.4342
 Red. masses --      2.4541                 2.3111                 1.9393
 Frc consts  --      2.1911                 2.0937                 1.7780
 IR Inten    --      1.8501                 0.1697                 1.3616
 RamAct Fr= 1--     91.2156                70.1006                 5.3415
  Dep-P Fr= 1--      0.2743                 0.1899                 0.7467
  Dep-U Fr= 1--      0.4305                 0.3191                 0.8550
 Alpha2 Fr= 1--      1.0088                 0.9778                 0.0003
 Beta2  Fr= 1--      6.5454                 3.7285                 0.7612
 AlphaG Fr= 1--     -1.3921                -2.0864                 0.0042
 Gamma2 Fr= 1--    -12.3419                 0.9981               -27.9369
 Delta2 Fr= 1--    -17.0016                -5.2433                -3.2759
 Raman1 Fr= 1--     364.862                280.402                 21.366
 ROA1   Fr= 1--   -1728.873                -71.969              -2786.774
 CID1   Fr= 1--      -4.738                 -0.257               -130.430
 Raman2 Fr= 1--      78.545                 44.743                  9.134
 ROA2   Fr= 1--    -160.192                 65.900               -644.279
 CID2   Fr= 1--      -2.040                  1.473                -70.537
 Raman3 Fr= 1--     157.089                 89.485                 18.268
 ROA3   Fr= 1--   -1728.873                -71.969              -2786.774
 CID3   Fr= 1--     -11.006                 -0.804               -152.551
 RC180  Fr= 1--      -0.139                 -0.362                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04   0.05   0.06     0.10   0.02   0.14    -0.08  -0.10  -0.16
     2   6     0.00   0.02   0.02     0.02  -0.02  -0.01     0.00  -0.04  -0.03
     3   6    -0.01  -0.00  -0.01    -0.01  -0.01  -0.02     0.01  -0.00   0.01
     4   1     0.02  -0.02   0.00    -0.38   0.17  -0.15     0.02  -0.01   0.02
     5   6     0.01   0.00   0.01    -0.04   0.00  -0.03    -0.03   0.00  -0.02
     6   1    -0.04   0.14   0.08     0.07  -0.28  -0.18     0.04  -0.16  -0.11
     7   6    -0.01   0.01  -0.00    -0.03   0.01  -0.02    -0.00   0.01   0.01
     8   1    -0.07  -0.04  -0.08    -0.20  -0.10  -0.24    -0.05  -0.02  -0.07
     9   6    -0.01  -0.03  -0.03     0.10   0.09   0.14     0.04   0.07   0.08
    10   6    -0.01   0.02   0.01     0.05  -0.06  -0.01    -0.00  -0.01  -0.01
    11   6     0.03  -0.04  -0.01     0.07   0.03   0.09    -0.02   0.05   0.03
    12   6     0.02  -0.05  -0.00    -0.05  -0.06  -0.07    -0.01  -0.01  -0.01
    13   6     0.05  -0.02   0.02    -0.12   0.04  -0.05     0.08  -0.03   0.03
    14   6    -0.01   0.02   0.00    -0.01  -0.04  -0.03     0.01  -0.00  -0.00
    15   6    -0.04   0.07  -0.01     0.01   0.03   0.01    -0.01   0.02   0.01
    16   6    -0.04   0.15   0.04    -0.02   0.08   0.02    -0.01   0.04   0.01
    17   6    -0.04  -0.02  -0.02     0.00  -0.00   0.01    -0.03  -0.01  -0.01
    18   6    -0.01  -0.04  -0.02     0.02   0.01   0.02    -0.01  -0.03  -0.02
    19   6     0.12  -0.05  -0.01    -0.02  -0.01  -0.00     0.01  -0.01  -0.00
    20   6     0.09   0.09   0.03    -0.02  -0.02  -0.00    -0.08  -0.07  -0.03
    21   6    -0.02  -0.01   0.00     0.02  -0.01  -0.00     0.03  -0.02  -0.01
    22   6     0.01  -0.01   0.01     0.03   0.00   0.01     0.03   0.00   0.01
    23   6    -0.10  -0.06  -0.01     0.01  -0.03  -0.02    -0.02   0.07   0.04
    24   6     0.05  -0.03  -0.01    -0.01   0.01   0.01     0.00  -0.01  -0.01
    25   6    -0.02  -0.05  -0.02    -0.00   0.03   0.01     0.01  -0.02  -0.01
    26   6    -0.14   0.02   0.03     0.07  -0.03  -0.02    -0.13   0.05   0.04
    27   6     0.04   0.04   0.01     0.00  -0.00  -0.00    -0.01   0.01   0.01
    28   6     0.03   0.03   0.01    -0.02  -0.01  -0.00     0.04   0.02   0.00
    29   6    -0.00  -0.04  -0.02     0.02   0.01   0.00    -0.01  -0.01  -0.00
    30   6    -0.00   0.02   0.01    -0.02   0.02   0.01     0.04  -0.04  -0.03
    31   1     0.04   0.07   0.07     0.03  -0.09  -0.05    -0.24  -0.21  -0.27
    32   1    -0.09   0.06  -0.02    -0.22   0.03  -0.07    -0.25   0.12  -0.08
    33   1    -0.02  -0.17  -0.05     0.08  -0.26  -0.09    -0.05   0.04   0.01
    34   1     0.16  -0.10   0.01     0.42  -0.14   0.11    -0.13   0.02  -0.05
    35   1    -0.41  -0.37  -0.20    -0.02  -0.06  -0.03     0.15   0.08   0.05
    36   1     0.12  -0.34  -0.09     0.07  -0.13  -0.02     0.02   0.05   0.03
    37   1     0.20   0.11   0.08    -0.05  -0.02  -0.02     0.23   0.23   0.09
    38   1    -0.22  -0.01  -0.00    -0.13   0.06   0.03     0.49  -0.12  -0.06
    39   1     0.37   0.00  -0.06    -0.02  -0.00   0.01     0.11   0.00  -0.02
    40   1     0.03   0.05   0.02    -0.06   0.10   0.05     0.12  -0.21  -0.11
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.02   0.01   0.01    -0.09   0.03   0.02     0.19  -0.06  -0.07
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1251.9930              1284.1098              1301.5206
 Red. masses --      1.8045                 1.6988                 1.5871
 Frc consts  --      1.6665                 1.6504                 1.5840
 IR Inten    --      1.2190                 6.4464                 1.2314
 RamAct Fr= 1--     90.2309                 8.9272                 3.0897
  Dep-P Fr= 1--      0.1144                 0.7138                 0.3807
  Dep-U Fr= 1--      0.2052                 0.8330                 0.5514
 Alpha2 Fr= 1--      1.5250                 0.0056                 0.0245
 Beta2  Fr= 1--      3.0865                 1.2394                 0.2840
 AlphaG Fr= 1--      2.4600                -0.0408                 0.2401
 Gamma2 Fr= 1--    -29.3961               -11.8389                 0.5765
 Delta2 Fr= 1--    -13.0846               -11.7760                 1.4798
 Raman1 Fr= 1--     360.924                 35.709                 12.359
 ROA1   Fr= 1--   -3240.732              -1513.368                102.701
 CID1   Fr= 1--      -8.979                -42.381                  8.310
 Raman2 Fr= 1--      37.039                 14.873                  3.408
 ROA2   Fr= 1--    -600.829               -189.926                  1.999
 CID2   Fr= 1--     -16.222                -12.770                  0.587
 Raman3 Fr= 1--      74.077                 29.745                  6.815
 ROA3   Fr= 1--   -3240.732              -1513.368                102.701
 CID3   Fr= 1--     -43.748                -50.877                 15.070
 RC180  Fr= 1--      -0.590                  0.666                  0.103
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.13   0.14   0.27    -0.16  -0.15  -0.28     0.16   0.15   0.29
     2   6     0.01   0.05   0.05     0.00  -0.03  -0.02    -0.01   0.02   0.01
     3   6    -0.03  -0.00  -0.02     0.02  -0.01   0.01    -0.02   0.01  -0.00
     4   1    -0.15   0.06  -0.07     0.01  -0.00   0.00     0.07  -0.03   0.03
     5   6     0.02   0.00   0.02     0.01  -0.00   0.00    -0.01   0.01  -0.00
     6   1    -0.04   0.15   0.10     0.01   0.01   0.01     0.01  -0.05  -0.03
     7   6    -0.02   0.00  -0.01     0.02  -0.02  -0.00    -0.01   0.02   0.01
     8   1    -0.05  -0.03  -0.05     0.21   0.11   0.25    -0.21  -0.12  -0.25
     9   6    -0.02  -0.07  -0.06    -0.05   0.02  -0.03     0.06  -0.02   0.03
    10   6     0.01   0.01   0.01     0.00  -0.03  -0.01    -0.01   0.03   0.01
    11   6     0.07  -0.07  -0.00    -0.03   0.08   0.04     0.01  -0.08  -0.05
    12   6    -0.01  -0.03  -0.02     0.03   0.01   0.02    -0.02   0.03   0.00
    13   6    -0.10   0.04  -0.03    -0.03   0.02  -0.01     0.04   0.00   0.02
    14   6    -0.01   0.00  -0.00     0.01   0.00   0.01    -0.01  -0.02  -0.01
    15   6    -0.05  -0.01  -0.02     0.01  -0.07  -0.01    -0.01   0.02   0.00
    16   6    -0.02   0.01  -0.00    -0.03   0.11   0.03     0.01  -0.02  -0.00
    17   6     0.03   0.01   0.02    -0.01   0.01   0.01    -0.01  -0.01  -0.01
    18   6     0.01   0.02   0.02    -0.02  -0.03  -0.02     0.00  -0.00  -0.00
    19   6    -0.02   0.01   0.01    -0.03  -0.00  -0.01     0.05  -0.03  -0.01
    20   6    -0.04  -0.04  -0.02     0.02   0.03   0.01     0.03  -0.03  -0.01
    21   6     0.02  -0.01  -0.00     0.03  -0.02  -0.00    -0.02   0.01  -0.00
    22   6     0.03  -0.00   0.01    -0.00   0.02   0.01     0.00   0.01   0.00
    23   6     0.01   0.08   0.03    -0.03   0.09   0.04    -0.09   0.04   0.03
    24   6    -0.00  -0.01  -0.00    -0.02   0.00   0.00    -0.04   0.03   0.01
    25   6     0.01  -0.02  -0.01     0.02  -0.03  -0.01     0.02  -0.01  -0.00
    26   6    -0.08   0.05   0.03     0.06   0.04   0.01     0.07   0.03   0.00
    27   6    -0.02  -0.01   0.00    -0.01  -0.03  -0.01     0.02  -0.01  -0.01
    28   6     0.02   0.01  -0.00    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00
    29   6    -0.02   0.00   0.00    -0.01  -0.02  -0.01    -0.02  -0.06  -0.02
    30   6     0.04  -0.04  -0.03     0.02  -0.03  -0.02    -0.00   0.00   0.00
    31   1     0.29   0.25   0.33    -0.00  -0.03  -0.02    -0.03   0.01  -0.01
    32   1     0.17  -0.09   0.05     0.18  -0.08   0.06    -0.11   0.03  -0.05
    33   1     0.04  -0.03   0.00     0.07  -0.30  -0.10    -0.03   0.09   0.03
    34   1     0.32  -0.09   0.09     0.15  -0.10   0.02    -0.15   0.05  -0.04
    35   1     0.17   0.12   0.07    -0.10  -0.15  -0.07    -0.06  -0.03  -0.02
    36   1     0.05  -0.07  -0.01     0.10  -0.29  -0.08    -0.01   0.06   0.02
    37   1     0.10   0.10   0.03    -0.15  -0.14  -0.05    -0.02   0.05   0.02
    38   1     0.41  -0.10  -0.05     0.03  -0.03  -0.01    -0.08   0.02   0.01
    39   1    -0.02  -0.00  -0.00    -0.38   0.02   0.06    -0.43   0.05   0.08
    40   1     0.10  -0.20  -0.10    -0.02   0.02   0.01    -0.08   0.20   0.10
    41  35    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.14  -0.05  -0.06     0.39  -0.07  -0.13     0.58  -0.05  -0.17
                     82                     83                     84
                      A                      A                      A
 Frequencies --   1321.7910              1362.5774              1364.5080
 Red. masses --      2.4493                 5.3989                 5.0455
 Frc consts  --      2.5213                 5.9058                 5.5349
 IR Inten    --      8.0259                 1.6483                 2.8912
 RamAct Fr= 1--      5.1007               145.0504               104.5459
  Dep-P Fr= 1--      0.2370                 0.6238                 0.6294
  Dep-U Fr= 1--      0.3831                 0.7683                 0.7725
 Alpha2 Fr= 1--      0.0627                 0.3340                 0.2293
 Beta2  Fr= 1--      0.3257                18.5742                13.4608
 AlphaG Fr= 1--     -0.0805                -4.0307                -3.3229
 Gamma2 Fr= 1--      6.3216              -370.1965              -224.8720
 Delta2 Fr= 1--     -1.7670               -59.7141               -32.6115
 Raman1 Fr= 1--      20.403                580.202                418.184
 ROA1   Fr= 1--     550.331             -37449.712             -22631.281
 CID1   Fr= 1--      26.973                -64.546                -54.118
 Raman2 Fr= 1--       3.909                222.890                161.530
 ROA2   Fr= 1--     165.854              -8407.002              -5136.036
 CID2   Fr= 1--      42.434                -37.718                -31.796
 Raman3 Fr= 1--       7.817                445.781                323.060
 ROA3   Fr= 1--     550.331             -37449.712             -22631.281
 CID3   Fr= 1--      70.401                -84.009                -70.053
 RC180  Fr= 1--      -0.234                  0.537                  0.545
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.21  -0.16  -0.35    -0.12  -0.08  -0.20    -0.03  -0.09  -0.18
     2   6     0.02   0.01   0.02     0.03   0.03   0.05     0.11   0.01   0.11
     3   6     0.02  -0.04  -0.02    -0.02  -0.01  -0.03    -0.13   0.07  -0.05
     4   1    -0.26   0.09  -0.12    -0.15   0.05  -0.08     0.19  -0.08   0.05
     5   6     0.03  -0.00   0.02     0.02  -0.04  -0.02     0.01  -0.14  -0.11
     6   1    -0.03   0.15   0.10    -0.04   0.12   0.06    -0.07   0.05  -0.01
     7   6    -0.03  -0.02  -0.04    -0.00   0.01   0.01     0.12   0.07   0.15
     8   1     0.21   0.15   0.28     0.07   0.07   0.11    -0.00  -0.02   0.05
     9   6    -0.05  -0.03  -0.06    -0.05   0.03  -0.01    -0.20   0.25   0.01
    10   6    -0.03  -0.00  -0.01    -0.01  -0.01  -0.01     0.08  -0.10  -0.01
    11   6     0.09   0.06   0.13     0.08  -0.02   0.05     0.00  -0.12  -0.09
    12   6    -0.07  -0.04  -0.07    -0.06  -0.04  -0.05     0.14  -0.07   0.07
    13   6     0.01  -0.08  -0.03     0.00  -0.04  -0.02    -0.10   0.04  -0.03
    14   6     0.02   0.06   0.04     0.02   0.01   0.02    -0.02  -0.00  -0.01
    15   6    -0.03   0.04   0.01     0.01   0.13   0.02    -0.07   0.08  -0.02
    16   6    -0.01  -0.04  -0.01     0.10  -0.05   0.01    -0.10  -0.06  -0.05
    17   6    -0.02   0.01  -0.00    -0.02  -0.04  -0.02     0.08   0.00   0.03
    18   6     0.04   0.02   0.02     0.01   0.05   0.03    -0.03   0.04   0.01
    19   6     0.11   0.05   0.01    -0.06  -0.08  -0.01     0.09  -0.00   0.01
    20   6    -0.03  -0.08  -0.03     0.12   0.00   0.01    -0.04   0.00  -0.00
    21   6    -0.04  -0.01  -0.01    -0.03   0.04   0.01    -0.01   0.04   0.01
    22   6     0.05   0.00   0.01    -0.05  -0.01  -0.02     0.05  -0.05  -0.01
    23   6    -0.07  -0.05  -0.00    -0.00  -0.13  -0.05    -0.01  -0.03  -0.02
    24   6    -0.03   0.01   0.00    -0.00   0.02   0.01    -0.01  -0.02  -0.01
    25   6     0.01   0.05   0.02    -0.02  -0.11  -0.04    -0.00   0.03   0.01
    26   6     0.02  -0.06  -0.02     0.08   0.30   0.09    -0.02  -0.02  -0.01
    27   6     0.05   0.03   0.00    -0.19   0.02   0.03     0.03   0.02   0.01
    28   6    -0.01   0.00   0.00     0.10  -0.16  -0.09     0.01  -0.01  -0.00
    29   6    -0.02  -0.06  -0.02     0.17   0.12   0.03    -0.04  -0.05  -0.02
    30   6    -0.01   0.05   0.02    -0.19  -0.05   0.02    -0.02   0.04   0.02
    31   1     0.09   0.11   0.11    -0.05  -0.03  -0.06    -0.18  -0.33  -0.32
    32   1    -0.13   0.13  -0.00    -0.10   0.07  -0.02     0.22  -0.12   0.05
    33   1    -0.05   0.15   0.04    -0.04   0.03   0.01     0.05   0.17   0.08
    34   1     0.03   0.02   0.03    -0.04   0.07   0.02     0.22  -0.04   0.06
    35   1     0.14   0.15   0.08    -0.21  -0.11  -0.07     0.07   0.11   0.05
    36   1    -0.00   0.16   0.06    -0.11   0.15   0.02     0.02   0.01   0.02
    37   1     0.15   0.22   0.08    -0.05  -0.04  -0.03     0.06   0.05   0.03
    38   1    -0.12   0.09   0.03     0.45  -0.21  -0.10     0.04   0.02   0.01
    39   1    -0.09   0.05   0.03    -0.10  -0.00   0.06    -0.05   0.04   0.02
    40   1    -0.08   0.19   0.10     0.03   0.07   0.02    -0.05   0.18   0.09
    41  35     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    42   1     0.26   0.02  -0.06     0.20  -0.08  -0.13     0.24   0.02  -0.05
                     85                     86                     87
                      A                      A                      A
 Frequencies --   1378.2901              1387.3926              1392.4249
 Red. masses --      5.2884                 4.6071                 4.5560
 Frc consts  --      5.9192                 5.2249                 5.2045
 IR Inten    --      1.2306                 6.5312                 5.7124
 RamAct Fr= 1--   2469.3175               470.5794               299.5885
  Dep-P Fr= 1--      0.1353                 0.1135                 0.4358
  Dep-U Fr= 1--      0.2384                 0.2039                 0.6071
 Alpha2 Fr= 1--     39.6134                 7.9703                 1.9422
 Beta2  Fr= 1--     98.1020                15.9880                30.3125
 AlphaG Fr= 1--   -163.0063               -54.0783               -14.8318
 Gamma2 Fr= 1--   -669.6137               137.0283              -391.9551
 Delta2 Fr= 1--   -620.1287                84.6924                18.6886
 Raman1 Fr= 1--    9877.270               1882.318               1198.354
 ROA1   Fr= 1--  -84127.032              15864.874             -37029.649
 CID1   Fr= 1--      -8.517                  8.428                -30.900
 Raman2 Fr= 1--    1177.224                191.856                363.751
 ROA2   Fr= 1--  -11109.698               2611.141              -9556.430
 CID2   Fr= 1--      -9.437                 13.610                -26.272
 Raman3 Fr= 1--    2354.447                383.711                727.501
 ROA3   Fr= 1--  -84127.032              15864.874             -37029.649
 CID3   Fr= 1--     -35.731                 41.346                -50.900
 RC180  Fr= 1--      -0.523                 -0.592                  0.214
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.02   0.00   0.02     0.07   0.04   0.12     0.09   0.04   0.11
     2   6    -0.00  -0.01  -0.01    -0.08  -0.06  -0.12    -0.00  -0.02  -0.02
     3   6     0.01   0.00   0.01     0.10  -0.02   0.07    -0.03   0.03  -0.00
     4   1     0.01  -0.00   0.01     0.07  -0.01   0.07     0.20  -0.09   0.08
     5   6    -0.01   0.00  -0.00    -0.03   0.10   0.06    -0.01   0.01   0.00
     6   1     0.00  -0.02  -0.02     0.06  -0.12  -0.06     0.04  -0.11  -0.06
     7   6     0.01  -0.01   0.00    -0.03  -0.07  -0.07     0.02   0.01   0.03
     8   1     0.03   0.00   0.03     0.05  -0.01  -0.01    -0.11  -0.09  -0.15
     9   6    -0.01   0.04   0.02     0.09  -0.07   0.03     0.02  -0.04  -0.01
    10   6    -0.01  -0.03  -0.02     0.02  -0.02  -0.01     0.04   0.02   0.04
    11   6    -0.02   0.01  -0.01    -0.13   0.15  -0.01    -0.07   0.01  -0.05
    12   6     0.05  -0.14  -0.02     0.15  -0.15   0.05     0.09   0.15   0.11
    13   6     0.04   0.18   0.10    -0.03   0.08   0.03    -0.04  -0.15  -0.09
    14   6     0.01  -0.04  -0.02    -0.06   0.01  -0.03    -0.05   0.03  -0.00
    15   6    -0.25  -0.05  -0.09    -0.06   0.05  -0.01    -0.01  -0.15  -0.03
    16   6     0.30   0.06   0.11    -0.09  -0.02  -0.04    -0.08  -0.00  -0.01
    17   6     0.03  -0.11  -0.04     0.09  -0.03   0.02    -0.04   0.12   0.04
    18   6    -0.14   0.05  -0.03    -0.07   0.03  -0.01     0.06  -0.06  -0.01
    19   6    -0.02   0.15   0.03     0.13   0.00   0.01     0.01   0.24   0.04
    20   6     0.14  -0.14  -0.03    -0.12   0.10   0.02     0.07  -0.14  -0.04
    21   6    -0.10  -0.09  -0.05     0.02   0.04   0.02    -0.04  -0.08  -0.04
    22   6    -0.04   0.10   0.03     0.04  -0.08  -0.02     0.05   0.12   0.05
    23   6    -0.00  -0.01  -0.00     0.03  -0.13  -0.06    -0.01  -0.12  -0.03
    24   6    -0.01   0.03   0.01    -0.01  -0.08  -0.03    -0.03  -0.01  -0.00
    25   6    -0.03   0.02   0.01     0.01   0.02   0.00    -0.04   0.04   0.02
    26   6     0.00  -0.05  -0.02    -0.02   0.07   0.03     0.04   0.01  -0.00
    27   6     0.01   0.01   0.00    -0.04   0.05   0.02    -0.06   0.05   0.03
    28   6    -0.01  -0.00   0.00     0.07  -0.07  -0.04     0.03  -0.07  -0.03
    29   6     0.00  -0.01  -0.00    -0.02  -0.04  -0.01     0.08   0.04   0.00
    30   6    -0.01   0.01   0.01    -0.10   0.06   0.05    -0.11   0.02   0.03
    31   1    -0.01  -0.03  -0.01     0.19   0.11   0.20     0.01  -0.01   0.00
    32   1     0.29  -0.19   0.09     0.28  -0.16   0.08    -0.15   0.10  -0.07
    33   1     0.09  -0.40  -0.06     0.03   0.19   0.10     0.05  -0.21  -0.09
    34   1    -0.05   0.03  -0.03     0.10  -0.01   0.01     0.21  -0.14   0.06
    35   1    -0.03  -0.04   0.00     0.16   0.17   0.07     0.00  -0.07   0.01
    36   1    -0.11   0.40   0.06    -0.02   0.07   0.04     0.19  -0.28  -0.08
    37   1     0.20   0.27   0.07     0.01  -0.07  -0.00     0.27   0.32   0.09
    38   1    -0.04   0.03   0.01     0.24  -0.03  -0.02     0.22  -0.00  -0.02
    39   1     0.05   0.01  -0.01    -0.08   0.06   0.05     0.13   0.02   0.01
    40   1    -0.01   0.02   0.01    -0.05   0.31   0.14    -0.01   0.08   0.03
    41  35     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.03   0.01  -0.00     0.31   0.03  -0.07     0.06   0.00  -0.01
                     88                     89                     90
                      A                      A                      A
 Frequencies --   1402.5530              1426.3335              1430.5811
 Red. masses --      5.7357                 3.0050                 3.1977
 Frc consts  --      6.6477                 3.6020                 3.8558
 IR Inten    --      2.8864                 2.5018                 2.3080
 RamAct Fr= 1--    390.0158               433.0509                24.8052
  Dep-P Fr= 1--      0.7133                 0.0671                 0.1538
  Dep-U Fr= 1--      0.8327                 0.1258                 0.2666
 Alpha2 Fr= 1--      0.2472                 8.2110                 0.3798
 Beta2  Fr= 1--     54.1274                 9.0793                 1.1020
 AlphaG Fr= 1--     -1.1137               -41.7693                -1.1635
 Gamma2 Fr= 1--  -1186.2405               237.3533                -3.1144
 Delta2 Fr= 1--   -223.4300                54.8723                -3.7315
 Raman1 Fr= 1--    1560.063               1732.204                 99.221
 ROA1   Fr= 1-- -121028.848              24541.834               -418.393
 CID1   Fr= 1--     -77.579                 14.168                 -4.217
 Raman2 Fr= 1--     649.529                108.951                 13.224
 ROA2   Fr= 1--  -26682.332               5257.502                -44.893
 CID2   Fr= 1--     -41.080                 48.255                 -3.395
 Raman3 Fr= 1--    1299.058                217.903                 26.447
 ROA3   Fr= 1-- -121028.848              24541.834               -418.393
 CID3   Fr= 1--     -93.167                112.627                -15.820
 RC180  Fr= 1--       0.665                 -0.748                 -0.467
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.10  -0.11  -0.21     0.06   0.08   0.15    -0.10  -0.08  -0.16
     2   6     0.00  -0.03  -0.02    -0.03   0.01  -0.02     0.04   0.02   0.06
     3   6     0.04  -0.02   0.01     0.02  -0.00   0.01    -0.02  -0.01  -0.03
     4   1    -0.03   0.02  -0.01    -0.04   0.02   0.00    -0.07   0.02  -0.05
     5   6    -0.01   0.02   0.01     0.00   0.01   0.01     0.01  -0.04  -0.02
     6   1    -0.02   0.04   0.01     0.00   0.01   0.01    -0.04   0.07   0.03
     7   6    -0.03  -0.00  -0.02    -0.00  -0.03  -0.02    -0.01   0.04   0.03
     8   1    -0.06  -0.02  -0.08     0.11   0.06   0.13    -0.11  -0.03  -0.10
     9   6     0.07  -0.07   0.00    -0.03   0.06   0.02     0.03  -0.06  -0.02
    10   6     0.09   0.01   0.06    -0.05  -0.02  -0.05     0.03   0.06   0.05
    11   6    -0.10   0.13  -0.00     0.05  -0.05   0.00     0.00  -0.01   0.00
    12   6     0.14  -0.03   0.10    -0.06  -0.04  -0.05    -0.05   0.11   0.00
    13   6    -0.09  -0.18  -0.12     0.01   0.10   0.04     0.02  -0.07  -0.02
    14   6    -0.10   0.06  -0.03     0.06  -0.02   0.02    -0.01  -0.02  -0.01
    15   6    -0.04   0.22   0.01     0.10  -0.03   0.03    -0.03  -0.07  -0.02
    16   6     0.03  -0.09  -0.03    -0.07  -0.00  -0.02     0.13   0.03   0.05
    17   6     0.04  -0.03   0.00    -0.01  -0.01  -0.00    -0.03   0.04   0.01
    18   6    -0.01   0.09   0.04     0.05  -0.04   0.00    -0.04   0.01  -0.02
    19   6    -0.18  -0.10  -0.01    -0.12   0.06   0.01    -0.05  -0.06  -0.00
    20   6     0.20  -0.13  -0.02     0.03  -0.05  -0.01    -0.05   0.12   0.03
    21   6    -0.04   0.09   0.03     0.05   0.03   0.02    -0.00  -0.04  -0.01
    22   6    -0.03  -0.04  -0.02    -0.03   0.03   0.00    -0.03  -0.02  -0.01
    23   6     0.06   0.17   0.04     0.14   0.03  -0.02     0.17  -0.05  -0.06
    24   6     0.09   0.10   0.03     0.09  -0.00   0.00     0.03  -0.06  -0.02
    25   6    -0.12  -0.03  -0.01    -0.13   0.03   0.01    -0.02   0.01   0.00
    26   6    -0.04  -0.11  -0.04    -0.05  -0.10  -0.03    -0.08   0.02   0.02
    27   6     0.04   0.01   0.00    -0.01   0.07   0.03     0.04   0.03   0.01
    28   6     0.00   0.02   0.01     0.07  -0.05  -0.03     0.06  -0.04  -0.03
    29   6    -0.04  -0.04  -0.01    -0.06  -0.05  -0.01    -0.16  -0.08  -0.01
    30   6     0.03  -0.03  -0.01    -0.06   0.05   0.04     0.03   0.09   0.04
    31   1     0.06  -0.03   0.03     0.01   0.04   0.02    -0.11  -0.06  -0.10
    32   1    -0.08   0.06  -0.05     0.03  -0.02   0.04    -0.18   0.07  -0.08
    33   1     0.01   0.11   0.06    -0.06   0.19   0.04     0.07  -0.35  -0.11
    34   1     0.37  -0.04   0.14    -0.30   0.10  -0.09     0.26  -0.11   0.06
    35   1    -0.36  -0.19  -0.11    -0.22  -0.23  -0.11     0.19   0.14   0.07
    36   1    -0.08   0.09   0.02     0.06  -0.28  -0.07    -0.10   0.22   0.04
    37   1     0.07   0.07  -0.01     0.15   0.06   0.00     0.03  -0.06  -0.01
    38   1    -0.06  -0.05  -0.01     0.21  -0.05  -0.01     0.13  -0.03  -0.01
    39   1     0.11   0.01  -0.03     0.16   0.06  -0.00    -0.20   0.08   0.06
    40   1    -0.01   0.06   0.02    -0.05   0.32   0.14    -0.08   0.40   0.19
    41  35    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    42   1     0.25  -0.04  -0.09     0.40   0.01  -0.11     0.15   0.10  -0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1457.3724              1463.3395              1476.4824
 Red. masses --      1.9830                 1.9286                 2.3270
 Frc consts  --      2.4814                 2.4332                 2.9888
 IR Inten    --      0.5247                 6.0050                 3.1106
 RamAct Fr= 1--     11.2709                37.5407                35.4387
  Dep-P Fr= 1--      0.7256                 0.3964                 0.3824
  Dep-U Fr= 1--      0.8410                 0.5678                 0.5532
 Alpha2 Fr= 1--      0.0047                 0.2816                 0.2792
 Beta2  Fr= 1--      1.5797                 3.5525                 3.2677
 AlphaG Fr= 1--     -0.1163                -1.3024                -2.2966
 Gamma2 Fr= 1--     -9.3008                19.4190                -9.1165
 Delta2 Fr= 1--     -1.2487                30.0931                24.9481
 Raman1 Fr= 1--      45.083                150.163                141.755
 ROA1   Fr= 1--    -932.832               2827.201                -76.845
 CID1   Fr= 1--     -20.691                 18.828                 -0.542
 Raman2 Fr= 1--      18.957                 42.630                 39.212
 ROA2   Fr= 1--    -213.228                225.311               -418.381
 CID2   Fr= 1--     -11.248                  5.285                -10.670
 Raman3 Fr= 1--      37.914                 85.261                 78.424
 ROA3   Fr= 1--    -932.832               2827.201                -76.845
 CID3   Fr= 1--     -24.604                 33.159                 -0.980
 RC180  Fr= 1--       0.682                  0.136                  0.106
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.01  -0.07  -0.05    -0.05  -0.00  -0.05     0.25   0.14   0.38
     2   6     0.05  -0.04   0.01    -0.01   0.02   0.01    -0.04  -0.06  -0.10
     3   6    -0.07   0.00  -0.05     0.04  -0.01   0.02    -0.05   0.04  -0.01
     4   1     0.20  -0.14   0.04    -0.14   0.09  -0.04     0.36  -0.17   0.15
     5   6    -0.04   0.05   0.01     0.01  -0.03  -0.02     0.01   0.08   0.08
     6   1     0.11  -0.35  -0.20    -0.07   0.18   0.09     0.14  -0.23  -0.08
     7   6     0.08   0.03   0.08    -0.04  -0.00  -0.03     0.03  -0.07  -0.04
     8   1    -0.20  -0.19  -0.30     0.06   0.08   0.10     0.14   0.00   0.11
     9   6    -0.02  -0.00  -0.02     0.02  -0.00   0.02    -0.10   0.05  -0.04
    10   6    -0.03  -0.08  -0.07     0.03   0.02   0.03    -0.05  -0.00  -0.03
    11   6     0.01   0.06   0.06    -0.02  -0.01  -0.03     0.07  -0.01   0.06
    12   6    -0.03   0.00  -0.03     0.02  -0.01   0.02     0.01  -0.02   0.00
    13   6     0.02  -0.06  -0.01    -0.04   0.01  -0.01    -0.00  -0.03  -0.02
    14   6    -0.07   0.09   0.01    -0.01  -0.02  -0.02     0.10  -0.01   0.05
    15   6     0.00   0.01   0.00    -0.00   0.02  -0.00    -0.01   0.07   0.00
    16   6     0.04   0.02   0.02     0.02  -0.03  -0.00     0.00  -0.05  -0.01
    17   6    -0.03  -0.05  -0.03     0.01  -0.04  -0.01    -0.01   0.08   0.03
    18   6     0.06   0.01   0.03     0.02   0.02   0.02    -0.04  -0.01  -0.02
    19   6    -0.02  -0.02  -0.00    -0.01  -0.00   0.00    -0.04  -0.03  -0.00
    20   6    -0.01   0.02   0.00     0.01   0.02   0.00     0.06   0.01   0.01
    21   6     0.03  -0.00   0.00     0.07   0.02   0.02    -0.04   0.01  -0.00
    22   6    -0.03   0.03   0.00    -0.06   0.06   0.01     0.01  -0.03  -0.01
    23   6     0.01  -0.01  -0.01    -0.03  -0.05  -0.01    -0.01  -0.01  -0.00
    24   6    -0.02  -0.03  -0.01    -0.07  -0.10  -0.04    -0.01  -0.02  -0.01
    25   6    -0.01   0.01   0.01    -0.04   0.06   0.02    -0.03   0.00   0.00
    26   6    -0.00   0.01   0.01     0.03   0.03   0.01    -0.01   0.03   0.01
    27   6     0.03  -0.01  -0.01     0.10  -0.03  -0.03     0.07  -0.01  -0.02
    28   6    -0.01  -0.01  -0.00    -0.06  -0.02   0.00    -0.02  -0.02  -0.00
    29   6    -0.02   0.00   0.00    -0.02   0.03   0.02    -0.03   0.02   0.01
    30   6     0.03   0.01  -0.00     0.07   0.00  -0.01     0.06   0.00  -0.01
    31   1     0.28   0.17   0.27    -0.06  -0.06  -0.07    -0.08  -0.01  -0.07
    32   1     0.37  -0.11   0.14    -0.07   0.00  -0.04    -0.21   0.14  -0.03
    33   1    -0.10   0.16   0.04    -0.03   0.13   0.04     0.09  -0.24  -0.08
    34   1    -0.19   0.10  -0.03    -0.09   0.06  -0.00     0.20  -0.10   0.04
    35   1    -0.05  -0.08  -0.04    -0.18  -0.21  -0.10     0.03   0.08   0.04
    36   1     0.01  -0.09  -0.04     0.05  -0.28  -0.10    -0.03   0.11   0.03
    37   1     0.08   0.07   0.03     0.31   0.30   0.12     0.10   0.09   0.04
    38   1     0.11  -0.01  -0.01     0.37  -0.02  -0.02     0.12  -0.03  -0.02
    39   1    -0.12   0.02   0.02    -0.36   0.03   0.06    -0.23   0.03   0.04
    40   1    -0.04   0.06   0.03    -0.10   0.08   0.05    -0.07   0.09   0.05
    41  35     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.08   0.02   0.03    -0.30   0.04   0.10    -0.16   0.02   0.05
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1510.5942              1515.5424              1537.3284
 Red. masses --      3.5609                 3.1298                 3.4101
 Frc consts  --      4.7874                 4.2355                 4.7485
 IR Inten    --     10.3182                 5.2962                17.7397
 RamAct Fr= 1--     41.1818               103.3074               116.4848
  Dep-P Fr= 1--      0.6969                 0.6916                 0.2047
  Dep-U Fr= 1--      0.8214                 0.8177                 0.3399
 Alpha2 Fr= 1--      0.0382                 0.1056                 1.5622
 Beta2  Fr= 1--      5.6378                14.0793                 6.5981
 AlphaG Fr= 1--     -0.3790                -1.4669                -4.4434
 Gamma2 Fr= 1--    -37.8166               -96.2328              -142.3400
 Delta2 Fr= 1--     33.5983                51.4163               -32.5874
 Raman1 Fr= 1--     164.727                413.230                465.939
 ROA1   Fr= 1--   -2555.249              -7593.024             -14707.441
 CID1   Fr= 1--     -15.512                -18.375                -31.565
 Raman2 Fr= 1--      67.654                168.951                 79.177
 ROA2   Fr= 1--   -1176.386              -2720.918              -3155.462
 CID2   Fr= 1--     -17.388                -16.105                -39.853
 Raman3 Fr= 1--     135.308                337.902                158.354
 ROA3   Fr= 1--   -2555.249              -7593.024             -14707.441
 CID3   Fr= 1--     -18.885                -22.471                -92.877
 RC180  Fr= 1--       0.643                  0.635                 -0.320
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.10   0.10   0.18     0.13   0.04   0.17     0.05   0.07   0.11
     2   6    -0.06  -0.01  -0.06     0.00  -0.04  -0.04    -0.04  -0.00  -0.04
     3   6     0.04   0.03   0.05    -0.07   0.04  -0.02     0.03   0.02   0.04
     4   1    -0.03   0.07   0.04     0.25  -0.13   0.09    -0.07   0.07   0.01
     5   6     0.03  -0.05  -0.02     0.03   0.03   0.05     0.02  -0.06  -0.04
     6   1    -0.07   0.22   0.13     0.08  -0.09  -0.01    -0.08   0.19   0.09
     7   6    -0.06  -0.02  -0.06    -0.00  -0.04  -0.03    -0.04   0.01  -0.03
     8   1     0.16   0.15   0.24     0.08   0.02   0.07     0.07   0.09   0.12
     9   6     0.02   0.10   0.08    -0.05  -0.02  -0.05     0.04   0.09   0.09
    10   6     0.01  -0.07  -0.04     0.04   0.05   0.06    -0.04  -0.08  -0.08
    11   6     0.01  -0.05  -0.03     0.04   0.03   0.06     0.01  -0.05  -0.02
    12   6     0.06   0.01   0.05     0.01   0.02   0.01     0.00   0.03   0.02
    13   6    -0.07  -0.04  -0.06    -0.09  -0.02  -0.06     0.07  -0.07   0.01
    14   6    -0.05   0.04  -0.01     0.04  -0.04   0.00    -0.05   0.07   0.01
    15   6    -0.02   0.05  -0.01    -0.06   0.01  -0.02    -0.02   0.04  -0.00
    16   6     0.01   0.06   0.03     0.10  -0.03   0.02     0.04  -0.03   0.00
    17   6    -0.07  -0.03  -0.03     0.03  -0.10  -0.03    -0.05   0.09   0.02
    18   6     0.16  -0.05   0.04     0.01   0.07   0.04     0.01  -0.04  -0.02
    19   6    -0.07  -0.02   0.00     0.02  -0.03  -0.00    -0.03  -0.06  -0.01
    20   6     0.03  -0.04  -0.01    -0.12  -0.02  -0.02     0.05   0.08   0.03
    21   6    -0.07  -0.12  -0.05     0.11  -0.00   0.02    -0.02   0.01   0.00
    22   6     0.05   0.08   0.04    -0.08   0.12   0.03    -0.01  -0.03  -0.01
    23   6     0.04  -0.06  -0.03     0.06  -0.02  -0.02     0.05  -0.01  -0.02
    24   6     0.01   0.08   0.03    -0.05   0.00   0.00    -0.08  -0.10  -0.03
    25   6     0.11  -0.07  -0.03     0.11   0.01   0.00    -0.03   0.06   0.02
    26   6    -0.10   0.10   0.05     0.03   0.02   0.00     0.13   0.00  -0.02
    27   6     0.02   0.00  -0.00    -0.10  -0.02   0.01    -0.08  -0.07  -0.02
    28   6     0.03  -0.03  -0.02     0.03   0.10   0.04    -0.02   0.18   0.08
    29   6    -0.10  -0.02   0.01    -0.03  -0.10  -0.04     0.00  -0.12  -0.05
    30   6     0.09   0.03  -0.00    -0.04   0.04   0.03    -0.07   0.04   0.03
    31   1     0.12   0.02   0.08    -0.16  -0.12  -0.17     0.19   0.10   0.17
    32   1     0.12  -0.04   0.05    -0.24   0.09  -0.09     0.20  -0.05   0.09
    33   1    -0.13   0.16   0.02    -0.04   0.17   0.06     0.03  -0.21  -0.08
    34   1    -0.34   0.13  -0.06    -0.03   0.09   0.03     0.05  -0.07  -0.01
    35   1     0.20   0.12   0.08    -0.13  -0.23  -0.11     0.02   0.05   0.02
    36   1     0.08   0.00   0.01     0.06  -0.32  -0.12    -0.04   0.07   0.01
    37   1    -0.21  -0.14  -0.05    -0.09  -0.02  -0.00     0.20   0.20   0.08
    38   1    -0.31   0.01   0.01    -0.17   0.07   0.03     0.21   0.01  -0.00
    39   1    -0.16   0.04   0.04     0.28  -0.08  -0.07     0.25  -0.13  -0.09
    40   1    -0.03   0.16   0.08     0.14  -0.19  -0.10     0.16  -0.35  -0.18
    41  35     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    42   1    -0.14   0.06   0.06     0.23   0.02  -0.05     0.28   0.01  -0.07
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1549.6887              1557.1988              1588.0023
 Red. masses --      3.9321                 3.7726                 7.8670
 Frc consts  --      5.5637                 5.3899                11.6886
 IR Inten    --      4.6831                 2.1793                 0.4062
 RamAct Fr= 1--     71.5855                11.6667                17.6838
  Dep-P Fr= 1--      0.6058                 0.2667                 0.7045
  Dep-U Fr= 1--      0.7545                 0.4211                 0.8266
 Alpha2 Fr= 1--      0.1905                 0.1319                 0.0140
 Beta2  Fr= 1--      9.0021                 0.8187                 2.4363
 AlphaG Fr= 1--     -0.6931                -0.5560                 0.2136
 Gamma2 Fr= 1--   -333.7008               -42.9024               -26.4949
 Delta2 Fr= 1--    -61.2351                -7.5735                -7.2566
 Raman1 Fr= 1--     286.342                 46.667                 70.735
 ROA1   Fr= 1--  -33994.801              -4360.983              -2775.720
 CID1   Fr= 1--    -118.721                -93.450                -39.241
 Raman2 Fr= 1--     108.026                  9.825                 29.235
 ROA2   Fr= 1--   -7518.938               -969.069               -577.824
 CID2   Fr= 1--     -69.603                -98.635                -19.765
 Raman3 Fr= 1--     216.052                 19.650                 58.470
 ROA3   Fr= 1--  -33994.801              -4360.983              -2775.720
 CID3   Fr= 1--    -157.346               -221.938                -47.472
 RC180  Fr= 1--       0.509                 -0.158                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.21   0.06   0.27     0.14   0.07   0.20    -0.12   0.08  -0.04
     2   6     0.00  -0.08  -0.07    -0.02  -0.05  -0.06    -0.09   0.08  -0.00
     3   6    -0.13   0.11  -0.01    -0.06   0.08   0.02     0.21  -0.13   0.05
     4   1     0.31  -0.11   0.15     0.11  -0.00   0.09    -0.33   0.13  -0.14
     5   6     0.09  -0.09  -0.00     0.07  -0.12  -0.04    -0.11   0.17   0.05
     6   1    -0.00   0.18   0.15    -0.07   0.25   0.15     0.02  -0.21  -0.15
     7   6    -0.07  -0.00  -0.06    -0.06   0.03  -0.03     0.06  -0.07  -0.01
     8   1     0.12   0.14   0.20     0.07   0.13   0.15     0.05  -0.09  -0.03
     9   6     0.02  -0.00   0.01     0.06   0.05   0.08    -0.10   0.14   0.02
    10   6     0.09   0.02   0.06    -0.02  -0.06  -0.05    -0.05  -0.05  -0.06
    11   6     0.04   0.05   0.08     0.03   0.00   0.04     0.04  -0.17  -0.09
    12   6    -0.03   0.06  -0.01    -0.05   0.05  -0.02     0.10   0.12   0.11
    13   6    -0.06  -0.03  -0.04     0.13  -0.09   0.03    -0.09  -0.12  -0.10
    14   6    -0.07  -0.00  -0.04    -0.08   0.07  -0.01     0.06   0.03   0.05
    15   6    -0.02  -0.09  -0.02    -0.03  -0.01  -0.00    -0.17   0.01  -0.06
    16   6     0.02   0.17   0.06     0.07  -0.12  -0.02     0.18   0.00   0.05
    17   6    -0.01  -0.13  -0.05     0.03   0.06   0.03    -0.07   0.01  -0.02
    18   6     0.07   0.02   0.04    -0.13   0.04  -0.04     0.10  -0.01   0.03
    19   6     0.05  -0.02  -0.01     0.07   0.02   0.00     0.15  -0.13  -0.02
    20   6     0.01   0.10   0.03    -0.13  -0.07  -0.03    -0.15   0.13   0.03
    21   6    -0.04  -0.00  -0.01     0.13   0.08   0.05     0.06  -0.02   0.00
    22   6     0.04  -0.11  -0.03    -0.08   0.04  -0.01    -0.06   0.04   0.00
    23   6    -0.03   0.08   0.03    -0.03   0.03   0.02    -0.01   0.18   0.07
    24   6     0.06  -0.05  -0.01     0.03   0.05   0.02     0.03  -0.05  -0.02
    25   6    -0.13   0.04   0.02     0.05  -0.02  -0.01    -0.03   0.05   0.02
    26   6     0.04  -0.09  -0.04    -0.07  -0.04  -0.00    -0.03  -0.18  -0.06
    27   6     0.02   0.02   0.01     0.01   0.05   0.02     0.00   0.08   0.03
    28   6    -0.02  -0.04  -0.01     0.03  -0.11  -0.05     0.01  -0.13  -0.06
    29   6     0.08   0.06   0.01     0.02   0.07   0.03     0.13   0.13   0.04
    30   6    -0.06  -0.04  -0.01     0.01  -0.03  -0.02    -0.11  -0.08  -0.01
    31   1    -0.05  -0.11  -0.10     0.15   0.07   0.13     0.03   0.03   0.03
    32   1     0.02  -0.06  -0.02     0.21  -0.06   0.08    -0.11   0.12  -0.00
    33   1    -0.12   0.24   0.07     0.10  -0.20  -0.04    -0.04  -0.10  -0.04
    34   1    -0.16   0.11  -0.01     0.30  -0.12   0.06    -0.07   0.04   0.01
    35   1     0.11   0.15   0.06    -0.21  -0.22  -0.12     0.06  -0.02  -0.01
    36   1    -0.08   0.28   0.09    -0.02  -0.19  -0.07    -0.03  -0.02  -0.03
    37   1     0.10  -0.01  -0.00    -0.13  -0.11  -0.04     0.00  -0.07  -0.01
    38   1     0.22  -0.04  -0.02    -0.16   0.02   0.02    -0.00   0.04   0.02
    39   1     0.01   0.02   0.00    -0.03   0.07   0.03     0.07   0.07   0.02
    40   1    -0.04   0.00   0.01    -0.07   0.18   0.09    -0.08   0.11   0.06
    41  35    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    42   1     0.05  -0.06  -0.03    -0.09  -0.02   0.01     0.12  -0.12  -0.08
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1615.0800              1636.6685              1643.3537
 Red. masses --      6.8499                 6.0285                 6.5238
 Frc consts  --     10.5274                 9.5143                10.3803
 IR Inten    --      2.4007                31.0050                 3.1039
 RamAct Fr= 1--    167.4679               101.6119               201.7083
  Dep-P Fr= 1--      0.7477                 0.5662                 0.5344
  Dep-U Fr= 1--      0.8556                 0.7230                 0.6965
 Alpha2 Fr= 1--      0.0065                 0.3533                 0.8399
 Beta2  Fr= 1--     23.8823                12.2449                23.4162
 AlphaG Fr= 1--     -0.0388                 0.5140                -2.4764
 Gamma2 Fr= 1--     -4.9940               -63.9540               -31.8823
 Delta2 Fr= 1--     75.1743                30.3996                37.6317
 Raman1 Fr= 1--     669.872                406.448                806.833
 ROA1   Fr= 1--    1926.149              -5166.793              -1856.487
 CID1   Fr= 1--       2.875                -12.712                 -2.301
 Raman2 Fr= 1--     286.588                146.938                280.995
 ROA2   Fr= 1--    -721.251              -1778.092              -1066.229
 CID2   Fr= 1--      -2.517                -12.101                 -3.794
 Raman3 Fr= 1--     573.176                293.877                561.990
 ROA3   Fr= 1--    1926.149              -5166.793              -1856.487
 CID3   Fr= 1--       3.360                -17.581                 -3.303
 RC180  Fr= 1--       0.711                  0.446                  0.393
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.01  -0.11  -0.10     0.00   0.02   0.03    -0.02  -0.07  -0.09
     2   6     0.10  -0.04   0.05    -0.02   0.01  -0.01     0.06  -0.01   0.04
     3   6    -0.16   0.08  -0.05     0.02  -0.01   0.01    -0.07   0.04  -0.03
     4   1     0.20  -0.10   0.07    -0.02   0.01  -0.01     0.07  -0.03   0.02
     5   6     0.07  -0.11  -0.03    -0.01   0.02   0.01     0.03  -0.06  -0.02
     6   1    -0.01   0.10   0.08     0.01  -0.02  -0.01    -0.01   0.06   0.04
     7   6    -0.04   0.06   0.01     0.00  -0.01  -0.01    -0.02   0.04   0.01
     8   1    -0.06   0.05  -0.01     0.02  -0.00   0.01    -0.04   0.03  -0.01
     9   6     0.11  -0.11   0.01    -0.02   0.02  -0.00     0.09  -0.05   0.03
    10   6    -0.07   0.02  -0.03     0.03  -0.00   0.01    -0.13  -0.01  -0.09
    11   6    -0.10   0.13   0.01     0.03  -0.02   0.01    -0.09   0.06  -0.04
    12   6     0.04  -0.15  -0.03    -0.02   0.03  -0.01     0.10  -0.04   0.05
    13   6    -0.05   0.13   0.03     0.04  -0.03   0.01    -0.14   0.06  -0.05
    14   6     0.08  -0.05   0.02    -0.04   0.01  -0.01     0.17  -0.04   0.08
    15   6    -0.01   0.15   0.02     0.03  -0.01   0.01    -0.13  -0.02  -0.04
    16   6     0.02  -0.15  -0.04    -0.02  -0.01  -0.01     0.11   0.01   0.04
    17   6    -0.08   0.17   0.04     0.04  -0.04  -0.00    -0.12   0.14   0.01
    18   6     0.11  -0.12  -0.00    -0.06   0.04  -0.01     0.19  -0.11   0.03
    19   6    -0.00  -0.14  -0.02    -0.01   0.01   0.00     0.10   0.06   0.01
    20   6     0.01   0.13   0.04    -0.05  -0.02  -0.01    -0.14  -0.10  -0.04
    21   6    -0.06  -0.16  -0.07    -0.00  -0.05  -0.02     0.11   0.15   0.07
    22   6    -0.01   0.20   0.07     0.00   0.07   0.02    -0.05  -0.13  -0.06
    23   6     0.07   0.13   0.03     0.15  -0.08  -0.06    -0.06  -0.09  -0.02
    24   6    -0.09  -0.08  -0.03     0.11   0.07   0.02     0.20   0.12   0.04
    25   6     0.09   0.04   0.01    -0.05  -0.05  -0.02    -0.19  -0.05  -0.01
    26   6    -0.08  -0.12  -0.03    -0.19   0.06   0.05     0.05   0.08   0.02
    27   6     0.04   0.04   0.01     0.33  -0.11  -0.10     0.05  -0.05  -0.03
    28   6    -0.01  -0.07  -0.03    -0.20   0.14   0.09    -0.04   0.08   0.04
    29   6     0.11   0.09   0.02     0.19   0.04  -0.02    -0.02  -0.04  -0.02
    30   6    -0.13  -0.05   0.01    -0.28   0.01   0.06     0.03   0.03   0.00
    31   1     0.02   0.10   0.07    -0.00  -0.03  -0.02     0.05   0.15   0.12
    32   1    -0.08   0.03  -0.01     0.04  -0.02   0.01    -0.19   0.14  -0.02
    33   1     0.02  -0.23  -0.10     0.02   0.05   0.03    -0.05  -0.19  -0.10
    34   1    -0.21  -0.01  -0.09     0.09  -0.01   0.03    -0.25   0.03  -0.08
    35   1     0.22   0.08   0.07     0.05  -0.01   0.01    -0.20  -0.12  -0.08
    36   1     0.14  -0.23  -0.07     0.05  -0.09  -0.02    -0.13   0.12   0.02
    37   1     0.07   0.09   0.05    -0.10  -0.16  -0.06    -0.13  -0.24  -0.10
    38   1    -0.13   0.09   0.04    -0.04  -0.07  -0.02     0.17  -0.14  -0.06
    39   1    -0.00   0.05   0.02    -0.47  -0.01   0.06    -0.09  -0.04  -0.00
    40   1    -0.05   0.03   0.02    -0.07  -0.29  -0.12     0.01  -0.09  -0.04
    41  35    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1     0.17  -0.08  -0.08     0.34  -0.06  -0.12    -0.06   0.03   0.03
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1652.4178              1660.7254              1663.4565
 Red. masses --      5.4728                 6.1962                 6.2504
 Frc consts  --      8.8043                10.0687                10.1902
 IR Inten    --      1.5860                 0.5516                 1.1964
 RamAct Fr= 1--    176.0535               303.0802                74.1748
  Dep-P Fr= 1--      0.1537                 0.0720                 0.1309
  Dep-U Fr= 1--      0.2665                 0.1343                 0.2314
 Alpha2 Fr= 1--      2.6961                 5.6800                 1.2032
 Beta2  Fr= 1--      7.8187                 6.7831                 2.8612
 AlphaG Fr= 1--     -9.2831               -33.6631                -9.2704
 Gamma2 Fr= 1--    -32.5316               112.3543                16.5540
 Delta2 Fr= 1--    -17.6675               -32.6881                -3.1801
 Raman1 Fr= 1--     704.214               1212.321                296.699
 ROA1   Fr= 1--   -3688.396               9739.998               1487.421
 CID1   Fr= 1--      -5.238                  8.034                  5.013
 Raman2 Fr= 1--      93.824                 81.398                 34.335
 ROA2   Fr= 1--    -639.419               2958.008                422.736
 CID2   Fr= 1--      -6.815                 36.340                 12.312
 Raman3 Fr= 1--     187.648                162.795                 68.670
 ROA3   Fr= 1--   -3688.396               9739.998               1487.421
 CID3   Fr= 1--     -19.656                 59.830                 21.661
 RC180  Fr= 1--      -0.467                 -0.731                 -0.537
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.12   0.12   0.23     0.02   0.02   0.04     0.10   0.12   0.22
     2   6    -0.14  -0.07  -0.18    -0.02  -0.01  -0.03    -0.13  -0.04  -0.15
     3   6     0.12   0.03   0.13     0.02   0.00   0.02     0.13  -0.02   0.09
     4   1    -0.19   0.19   0.03    -0.02   0.02   0.00    -0.14   0.12   0.00
     5   6    -0.02  -0.19  -0.18    -0.00  -0.02  -0.02    -0.04  -0.04  -0.07
     6   1    -0.22   0.27   0.06    -0.03   0.03   0.00    -0.09   0.07  -0.02
     7   6     0.11   0.18   0.22     0.02   0.02   0.03     0.10   0.06   0.12
     8   1    -0.27  -0.08  -0.26    -0.04  -0.02  -0.04    -0.12  -0.10  -0.15
     9   6    -0.03  -0.08  -0.08    -0.01  -0.02  -0.02    -0.15  -0.04  -0.15
    10   6    -0.15  -0.01  -0.10     0.00   0.01   0.01     0.22   0.07   0.18
    11   6     0.01   0.09   0.08     0.00   0.01   0.01     0.10   0.04   0.12
    12   6     0.02   0.03   0.02     0.02  -0.01   0.01    -0.04  -0.10  -0.07
    13   6    -0.06  -0.03  -0.05    -0.05   0.03  -0.01     0.03   0.09   0.05
    14   6     0.19  -0.02   0.10     0.01  -0.01   0.00    -0.21   0.00  -0.12
    15   6     0.02  -0.01   0.00    -0.03  -0.06  -0.02    -0.04   0.06  -0.00
    16   6    -0.03   0.04   0.00     0.03   0.09   0.04     0.06  -0.09  -0.01
    17   6     0.07  -0.12  -0.02    -0.07   0.05  -0.00    -0.11   0.19   0.04
    18   6    -0.07   0.09   0.01     0.10  -0.06   0.01     0.15  -0.14  -0.00
    19   6    -0.00  -0.01  -0.00    -0.10   0.08   0.02     0.04  -0.02  -0.00
    20   6     0.01   0.02   0.01     0.09  -0.09  -0.02    -0.05  -0.01  -0.01
    21   6    -0.03  -0.04  -0.02     0.08   0.23   0.09     0.03   0.01   0.01
    22   6     0.02   0.03   0.01    -0.01  -0.27  -0.10    -0.03   0.02  -0.00
    23   6     0.00   0.01   0.00     0.11   0.02  -0.01    -0.03  -0.01   0.00
    24   6    -0.00  -0.01  -0.00    -0.26  -0.09  -0.03     0.07   0.03   0.01
    25   6    -0.00   0.00   0.00     0.31   0.03   0.00    -0.07  -0.01  -0.00
    26   6     0.00  -0.01  -0.00    -0.17  -0.03   0.01     0.03   0.01  -0.00
    27   6    -0.00   0.00   0.00     0.07   0.02  -0.00    -0.01  -0.01  -0.00
    28   6    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01    -0.00   0.01   0.00
    29   6     0.00   0.00   0.00     0.06   0.04   0.01    -0.01  -0.01  -0.00
    30   6    -0.01  -0.00   0.00    -0.10  -0.01   0.02     0.02   0.00  -0.00
    31   1     0.01   0.15   0.09    -0.02  -0.01  -0.02    -0.14  -0.25  -0.24
    32   1    -0.21   0.18  -0.01    -0.03   0.00  -0.01     0.18  -0.20  -0.01
    33   1     0.00   0.16   0.07    -0.05  -0.06  -0.04    -0.01  -0.24  -0.11
    34   1     0.11   0.03   0.06    -0.14   0.02  -0.05    -0.22  -0.02  -0.10
    35   1     0.06   0.03   0.02    -0.29  -0.08  -0.07    -0.02  -0.03  -0.01
    36   1     0.04  -0.02   0.00    -0.20   0.26   0.06    -0.01  -0.04  -0.02
    37   1     0.01   0.00   0.00     0.07   0.29   0.11    -0.03  -0.08  -0.03
    38   1     0.01  -0.00   0.00    -0.33   0.18   0.08     0.06  -0.04  -0.02
    39   1     0.00   0.00  -0.00    -0.08   0.04   0.02     0.01  -0.01  -0.00
    40   1    -0.00  -0.00  -0.00    -0.03   0.01   0.01     0.01  -0.01  -0.01
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.01  -0.00  -0.00     0.13  -0.03  -0.05    -0.02   0.01   0.00
                    106                    107                    108
                      A                      A                      A
 Frequencies --   3165.5592              3166.3014              3167.6821
 Red. masses --      1.0859                 1.0860                 1.0862
 Frc consts  --      6.4115                 6.4148                 6.4218
 IR Inten    --      0.9142                 1.1105                 3.7845
 RamAct Fr= 1--     14.0799                11.1789                38.5135
  Dep-P Fr= 1--      0.5851                 0.4170                 0.7268
  Dep-U Fr= 1--      0.7383                 0.5886                 0.8418
 Alpha2 Fr= 1--      0.0434                 0.0778                 0.0154
 Beta2  Fr= 1--      1.7324                 1.0966                 5.4032
 AlphaG Fr= 1--      0.1345                 0.2244                -0.0244
 Gamma2 Fr= 1--      3.8514               -18.5522                29.8537
 Delta2 Fr= 1--      4.3194                -0.2663                22.4523
 Raman1 Fr= 1--      56.320                 44.716                154.054
 ROA1   Fr= 1--     507.952              -1789.531               3584.430
 CID1   Fr= 1--       9.019                -40.020                 23.267
 Raman2 Fr= 1--      20.789                 13.159                 64.838
 ROA2   Fr= 1--      57.878               -443.121                536.870
 CID2   Fr= 1--       2.784                -33.675                  8.280
 Raman3 Fr= 1--      41.578                 26.318                129.677
 ROA3   Fr= 1--     507.952              -1789.531               3584.430
 CID3   Fr= 1--      12.217                -67.997                 27.641
 RC180  Fr= 1--       0.477                  0.177                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.01   0.01   0.00    -0.01   0.01   0.00     0.02  -0.03  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
     4   1    -0.01  -0.05  -0.06    -0.00  -0.03  -0.03     0.02   0.12   0.13
     5   6    -0.01   0.00  -0.01    -0.01   0.00  -0.00     0.02  -0.00   0.02
     6   1     0.14  -0.00   0.11     0.07  -0.00   0.05    -0.26   0.01  -0.20
     7   6     0.02  -0.02  -0.00     0.01  -0.01  -0.00    -0.03   0.03   0.00
     8   1    -0.21   0.25   0.02    -0.10   0.11   0.01     0.34  -0.39  -0.03
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.03   0.03   0.00    -0.01   0.01   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   6    -0.01  -0.04  -0.03    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   6    -0.02  -0.00  -0.01     0.01   0.00   0.00    -0.03  -0.01  -0.01
    18   6     0.01   0.02   0.01    -0.00  -0.00  -0.00     0.01   0.03   0.02
    19   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6    -0.01   0.01   0.00     0.02  -0.02  -0.00    -0.01   0.01   0.00
    22   6     0.01   0.00   0.00    -0.02  -0.00  -0.01     0.02   0.00   0.01
    23   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   6     0.01  -0.01  -0.00    -0.04   0.03   0.01    -0.02   0.01   0.00
    25   6     0.00   0.01   0.00    -0.01  -0.04  -0.01    -0.00  -0.02  -0.01
    26   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.01   0.00
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   1     0.35  -0.39  -0.02     0.12  -0.13  -0.01    -0.03   0.03   0.00
    32   1     0.13   0.48   0.32     0.04   0.14   0.10     0.02   0.05   0.04
    33   1     0.24   0.03   0.09    -0.09  -0.01  -0.04     0.39   0.06   0.15
    34   1    -0.06  -0.26  -0.13     0.01   0.04   0.02    -0.08  -0.34  -0.18
    35   1     0.09  -0.09  -0.02    -0.24   0.24   0.05     0.12  -0.12  -0.02
    36   1    -0.14  -0.03  -0.04     0.29   0.07   0.09    -0.25  -0.06  -0.08
    37   1    -0.09   0.08   0.02     0.45  -0.39  -0.12     0.19  -0.17  -0.05
    38   1    -0.02  -0.09  -0.03     0.12   0.49   0.17     0.06   0.24   0.08
    39   1     0.01   0.03   0.01    -0.03  -0.14  -0.05    -0.02  -0.09  -0.03
    40   1    -0.01  -0.00   0.00     0.03   0.01  -0.00     0.02   0.01  -0.00
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    109                    110                    111
                      A                      A                      A
 Frequencies --   3168.4523              3169.8262              3173.0178
 Red. masses --      1.0862                 1.0861                 1.0887
 Frc consts  --      6.4246                 6.4298                 6.4582
 IR Inten    --      0.7320                 0.2848                 6.9245
 RamAct Fr= 1--    127.0762                82.6398               114.1256
  Dep-P Fr= 1--      0.7254                 0.7495                 0.4743
  Dep-U Fr= 1--      0.8408                 0.8568                 0.6435
 Alpha2 Fr= 1--      0.0537                 0.0007                 0.6323
 Beta2  Fr= 1--     17.8083                11.8014                12.2391
 AlphaG Fr= 1--     -0.0234                -0.0030                 0.3225
 Gamma2 Fr= 1--     15.7630               -19.2595                -6.8747
 Delta2 Fr= 1--     -9.0637               -31.8867                -5.2066
 Raman1 Fr= 1--     508.305                330.559                456.502
 ROA1   Fr= 1--    1223.211              -2869.283               -826.588
 CID1   Fr= 1--       2.406                 -8.680                 -1.811
 Raman2 Fr= 1--     213.700                141.617                146.869
 ROA2   Fr= 1--     450.822               -207.134               -123.341
 CID2   Fr= 1--       2.110                 -1.463                 -0.840
 Raman3 Fr= 1--     427.400                283.233                293.739
 ROA3   Fr= 1--    1223.211              -2869.283               -826.588
 CID3   Fr= 1--       2.862                -10.130                 -2.814
 RC180  Fr= 1--       0.682                  0.714                  0.287
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02   0.03   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     4   1    -0.02  -0.14  -0.14    -0.01  -0.04  -0.04    -0.00  -0.00  -0.00
     5   6    -0.02   0.00  -0.02    -0.01   0.00  -0.00     0.00  -0.00   0.00
     6   1     0.27  -0.01   0.21     0.07  -0.00   0.05    -0.00   0.00  -0.00
     7   6     0.03  -0.03  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     8   1    -0.31   0.36   0.03    -0.06   0.07   0.01     0.00  -0.00  -0.00
     9   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   6     0.02  -0.02  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   6     0.01   0.03   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6    -0.02  -0.00  -0.01    -0.04  -0.01  -0.01     0.00   0.00   0.00
    18   6     0.00   0.01   0.00     0.01   0.03   0.02    -0.00  -0.00  -0.00
    19   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.02   0.02   0.00     0.03  -0.03  -0.00    -0.00   0.00   0.00
    22   6     0.03   0.01   0.01    -0.04  -0.01  -0.01     0.01   0.00   0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   6    -0.01   0.01   0.00     0.01  -0.01  -0.00    -0.02   0.01   0.00
    25   6    -0.00  -0.02  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   6     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.02  -0.07  -0.03
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.01   0.00
    29   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.19   0.21   0.01    -0.13   0.15   0.01     0.00  -0.00  -0.00
    32   1    -0.08  -0.31  -0.21    -0.04  -0.15  -0.10     0.00   0.00   0.00
    33   1     0.20   0.03   0.08     0.42   0.06   0.16    -0.01  -0.00  -0.00
    34   1    -0.03  -0.11  -0.06    -0.10  -0.41  -0.22     0.00   0.02   0.01
    35   1     0.21  -0.20  -0.04    -0.32   0.32   0.06     0.02  -0.02  -0.00
    36   1    -0.34  -0.08  -0.10     0.42   0.09   0.13    -0.07  -0.01  -0.02
    37   1     0.15  -0.13  -0.04    -0.09   0.08   0.02     0.18  -0.15  -0.05
    38   1     0.05   0.20   0.07    -0.04  -0.17  -0.06     0.01   0.06   0.02
    39   1    -0.02  -0.08  -0.03     0.02   0.10   0.04     0.19   0.86   0.31
    40   1     0.02   0.01  -0.00    -0.02  -0.01   0.00    -0.20  -0.07   0.00
    41  35     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    42   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
                    112                    113                    114
                      A                      A                      A
 Frequencies --   3178.9079              3184.1448              3184.8285
 Red. masses --      1.0897                 1.0960                 1.0958
 Frc consts  --      6.4881                 6.5472                 6.5484
 IR Inten    --      6.8123                 8.9981                 4.7436
 RamAct Fr= 1--    105.0378                82.7289               348.9810
  Dep-P Fr= 1--      0.7373                 0.7276                 0.4970
  Dep-U Fr= 1--      0.8488                 0.8423                 0.6640
 Alpha2 Fr= 1--      0.0228                 0.0319                 1.7475
 Beta2  Fr= 1--     14.8586                11.6136                38.6206
 AlphaG Fr= 1--      0.3430                 0.0715                 1.4028
 Gamma2 Fr= 1--    -19.1094               -49.9075                39.7211
 Delta2 Fr= 1--      9.4658               -38.5370               -26.5246
 Raman1 Fr= 1--     420.151                330.915               1395.924
 ROA1   Fr= 1--   -1531.597              -6024.301               2964.439
 CID1   Fr= 1--      -3.645                -18.205                  2.124
 Raman2 Fr= 1--     178.303                139.364                463.448
 ROA2   Fr= 1--    -534.352               -889.483               1165.503
 CID2   Fr= 1--      -2.997                 -6.382                  2.515
 Raman3 Fr= 1--     356.606                278.728                926.895
 ROA3   Fr= 1--   -1531.597              -6024.301               2964.439
 CID3   Fr= 1--      -4.295                -21.614                  3.198
 RC180  Fr= 1--       0.698                  0.685                  0.328
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.09  -0.10  -0.02     0.01  -0.01  -0.00    -0.01   0.01   0.00
     2   6    -0.01   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01  -0.05  -0.05    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   1     0.07   0.54   0.56     0.01   0.05   0.05    -0.01  -0.04  -0.04
     5   6     0.02   0.00   0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   1    -0.25   0.00  -0.20     0.02  -0.00   0.01    -0.02   0.00  -0.02
     7   6     0.03  -0.03  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1    -0.31   0.37   0.03    -0.05   0.06   0.00     0.04  -0.04  -0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.03  -0.03  -0.00    -0.03   0.03  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.00   0.01   0.01    -0.01  -0.03  -0.02     0.01   0.03   0.02
    15   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6    -0.00  -0.00  -0.00     0.03   0.00   0.01    -0.01  -0.00  -0.00
    18   6     0.00  -0.00  -0.00     0.01   0.03   0.01    -0.00  -0.00  -0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.02   0.02   0.00    -0.02   0.02   0.00
    22   6     0.00   0.00   0.00    -0.02  -0.01  -0.01    -0.03  -0.01  -0.01
    23   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    24   6    -0.00   0.00   0.00     0.02  -0.01  -0.00     0.03  -0.02  -0.01
    25   6     0.00   0.00   0.00    -0.01  -0.02  -0.01    -0.01  -0.04  -0.01
    26   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    28   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    30   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.03  -0.04  -0.00    -0.33   0.37   0.01     0.29  -0.33  -0.01
    32   1    -0.03  -0.10  -0.07     0.09   0.31   0.21    -0.08  -0.30  -0.20
    33   1     0.03   0.00   0.01    -0.34  -0.05  -0.13     0.12   0.02   0.05
    34   1     0.00   0.00   0.00    -0.07  -0.31  -0.16     0.01   0.04   0.02
    35   1    -0.01   0.01   0.00     0.22  -0.23  -0.04     0.18  -0.18  -0.03
    36   1    -0.00  -0.00  -0.00     0.26   0.06   0.08     0.29   0.07   0.09
    37   1     0.00  -0.00  -0.00    -0.17   0.14   0.04    -0.33   0.27   0.08
    38   1    -0.00  -0.00  -0.00     0.07   0.28   0.10     0.12   0.49   0.17
    39   1     0.00   0.00   0.00     0.01   0.05   0.02     0.02   0.08   0.03
    40   1    -0.00  -0.00  -0.00    -0.02  -0.01   0.00    -0.03  -0.01   0.00
    41  35    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                    115                    116                    117
                      A                      A                      A
 Frequencies --   3186.2391              3187.6641              3193.9840
 Red. masses --      1.0955                 1.0952                 1.0954
 Frc consts  --      6.5527                 6.5569                 6.5842
 IR Inten    --     55.2162                34.3874                20.1074
 RamAct Fr= 1--     96.9577               739.3059               297.7917
  Dep-P Fr= 1--      0.7500                 0.1067                 0.1577
  Dep-U Fr= 1--      0.8571                 0.1929                 0.2724
 Alpha2 Fr= 1--      0.0000                12.7317                 4.5146
 Beta2  Fr= 1--     13.8508                23.7688                13.5195
 AlphaG Fr= 1--      0.0021                12.8866                -5.7177
 Gamma2 Fr= 1--     60.5277               -24.9035               -13.2624
 Delta2 Fr= 1--     -7.3710               100.7516               -16.5523
 Raman1 Fr= 1--     387.831               2957.224               1191.167
 ROA1   Fr= 1--    5574.786                833.312              -1802.861
 CID1   Fr= 1--      14.374                  0.282                 -1.514
 Raman2 Fr= 1--     166.210                285.225                162.234
 ROA2   Fr= 1--    1511.632              -1403.697               -185.878
 CID2   Fr= 1--       9.095                 -4.921                 -1.146
 Raman3 Fr= 1--     332.419                570.450                324.468
 ROA3   Fr= 1--    5574.786                833.312              -1802.861
 CID3   Fr= 1--      16.770                  1.461                 -5.556
 RC180  Fr= 1--       0.714                 -0.614                 -0.455
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.10  -0.11  -0.02
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.03  -0.03
     4   1     0.00   0.03   0.03     0.00   0.02   0.02     0.04   0.34   0.35
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.06   0.00  -0.04
     6   1     0.02  -0.00   0.01     0.02  -0.00   0.02     0.62  -0.01   0.48
     7   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.02   0.02   0.00
     8   1    -0.02   0.03   0.00    -0.01   0.01   0.00     0.21  -0.25  -0.02
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6     0.02  -0.02   0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    13   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   6    -0.01  -0.02  -0.02    -0.00  -0.01  -0.01     0.00   0.00   0.00
    15   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    17   6    -0.03  -0.00  -0.01    -0.04  -0.00  -0.01     0.00   0.00   0.00
    18   6    -0.01  -0.04  -0.02    -0.01  -0.03  -0.02     0.00   0.00   0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6     0.02  -0.02  -0.00    -0.03   0.03   0.01     0.00  -0.00  -0.00
    22   6     0.02   0.01   0.01    -0.04  -0.01  -0.01     0.00   0.00   0.00
    23   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   6     0.03  -0.02  -0.01    -0.02   0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.01  -0.03  -0.01     0.01   0.02   0.01    -0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    27   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    30   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.21   0.23   0.01    -0.10   0.11   0.00     0.04  -0.04  -0.00
    32   1     0.07   0.26   0.17     0.04   0.14   0.10    -0.01  -0.02  -0.02
    33   1     0.34   0.05   0.13     0.41   0.06   0.16    -0.01  -0.00  -0.00
    34   1     0.09   0.39   0.20     0.09   0.37   0.19    -0.00  -0.01  -0.00
    35   1    -0.25   0.25   0.05     0.34  -0.34  -0.06    -0.00   0.00   0.00
    36   1    -0.23  -0.05  -0.07     0.44   0.10   0.13    -0.01  -0.00  -0.00
    37   1    -0.27   0.23   0.07     0.18  -0.15  -0.05    -0.00   0.00   0.00
    38   1     0.08   0.34   0.12    -0.05  -0.19  -0.07     0.00   0.00   0.00
    39   1     0.01   0.05   0.02    -0.01  -0.03  -0.01     0.00   0.00   0.00
    40   1    -0.02  -0.01   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    41  35    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    118                    119                    120
                      A                      A                      A
 Frequencies --   3208.9818              3223.4960              3242.0132
 Red. masses --      1.0937                 1.0915                 1.0902
 Frc consts  --      6.6355                 6.6821                 6.7511
 IR Inten    --      3.0703                 3.3139                 0.7994
 RamAct Fr= 1--    167.8800                34.6479                12.8589
  Dep-P Fr= 1--      0.2392                 0.0772                 0.1398
  Dep-U Fr= 1--      0.3860                 0.1433                 0.2454
 Alpha2 Fr= 1--      2.0505                 0.6413                 0.2040
 Beta2  Fr= 1--     10.8011                 0.8274                 0.5258
 AlphaG Fr= 1--     -0.5539                 1.1420                 1.1085
 Gamma2 Fr= 1--     -3.3827                -5.9101                 2.3564
 Delta2 Fr= 1--     -4.5295                 2.4171                 1.6012
 Raman1 Fr= 1--     671.520                138.592                 51.436
 ROA1   Fr= 1--    -469.688               -490.020                277.453
 CID1   Fr= 1--      -0.699                 -3.536                  5.394
 Raman2 Fr= 1--     129.613                  9.928                  6.310
 ROA2   Fr= 1--     -44.949               -161.179                 43.745
 CID2   Fr= 1--      -0.347                -16.234                  6.932
 Raman3 Fr= 1--     259.226                 19.856                 12.620
 ROA3   Fr= 1--    -469.688               -490.020                277.453
 CID3   Fr= 1--      -1.812                -24.678                 21.985
 RC180  Fr= 1--      -0.228                 -0.713                 -0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.00  -0.00  -0.00    -0.66   0.71   0.09    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.06  -0.06  -0.01     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.00  -0.00  -0.00
     4   1     0.00   0.00   0.00     0.02   0.14   0.15     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   1     0.00  -0.00   0.00     0.04  -0.00   0.03    -0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00  -0.00     0.01  -0.02  -0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    17   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    18   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   6    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.08  -0.03   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    29   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.08  -0.03
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    36   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    38   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    39   1     0.04   0.20   0.07    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    40   1     0.92   0.32  -0.01     0.00   0.00   0.00    -0.01  -0.00   0.00
    41  35     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.20   0.90   0.38

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  1 and mass   1.00783
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  6 and mass  12.00000
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  6 and mass  12.00000
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number 35 and mass  78.91834
 Atom    42 has atomic number  1 and mass   1.00783
 Molecular mass:   406.03571 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  8249.80459********************
           X            0.99894  -0.02304   0.03991
           Y            0.02242   0.99962   0.01579
           Z           -0.04026  -0.01488   0.99908
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01050     0.00804     0.00584
 Rotational constants (GHZ):           0.21876     0.16762     0.12163
 Zero-point vibrational energy     850985.4 (Joules/Mol)
                                  203.39040 (Kcal/Mol)
 Warning -- explicit consideration of  31 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     44.91    71.26    79.14   122.66   135.64
          (Kelvin)            152.30   191.26   246.95   278.32   330.20
                              376.11   392.30   401.04   417.21   461.66
                              485.64   549.15   598.09   617.63   630.12
                              638.40   642.14   696.80   712.37   751.42
                              759.38   776.60   783.75   827.73   846.15
                              880.71   903.42   923.39   937.14   982.89
                              997.38  1018.11  1031.04  1087.76  1093.57
                             1100.54  1118.49  1126.88  1144.46  1172.96
                             1193.66  1207.06  1223.29  1230.64  1232.28
                             1245.93  1277.66  1336.29  1345.75  1350.73
                             1367.93  1371.09  1376.53  1383.23  1390.98
                             1394.33  1427.86  1461.96  1529.53  1546.24
                             1590.59  1617.85  1650.75  1684.13  1686.25
                             1700.37  1702.28  1709.63  1742.00  1754.63
                             1771.15  1784.08  1794.78  1801.34  1847.55
                             1872.60  1901.76  1960.45  1963.22  1983.05
                             1996.15  2003.39  2017.96  2052.18  2058.29
                             2096.83  2105.42  2124.33  2173.41  2180.53
                             2211.87  2229.66  2240.46  2284.78  2323.74
                             2354.80  2364.42  2377.46  2389.41  2393.34
                             4554.53  4555.60  4557.59  4558.70  4560.67
                             4565.26  4573.74  4581.27  4582.26  4584.29
                             4586.34  4595.43  4617.01  4637.89  4664.53
 
 Zero-point correction=                           0.324123 (Hartree/Particle)
 Thermal correction to Energy=                    0.342981
 Thermal correction to Enthalpy=                  0.343925
 Thermal correction to Gibbs Free Energy=         0.276791
 Sum of electronic and zero-point Energies=          -3574.171456
 Sum of electronic and thermal Energies=             -3574.152598
 Sum of electronic and thermal Enthalpies=           -3574.151654
 Sum of electronic and thermal Free Energies=        -3574.218788
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  215.224             79.570            141.295
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             43.895
 Rotational               0.889              2.981             35.531
 Vibrational            213.446             73.609             61.869
 Vibration     1          0.594              1.983              5.751
 Vibration     2          0.595              1.978              4.836
 Vibration     3          0.596              1.976              4.629
 Vibration     4          0.601              1.959              3.766
 Vibration     5          0.603              1.953              3.569
 Vibration     6          0.605              1.945              3.344
 Vibration     7          0.613              1.920              2.903
 Vibration     8          0.626              1.877              2.417
 Vibration     9          0.635              1.849              2.195
 Vibration    10          0.652              1.796              1.883
 Vibration    11          0.669              1.743              1.652
 Vibration    12          0.676              1.724              1.579
 Vibration    13          0.679              1.713              1.541
 Vibration    14          0.686              1.692              1.474
 Vibration    15          0.706              1.634              1.306
 Vibration    16          0.718              1.601              1.224
 Vibration    17          0.751              1.509              1.033
 Vibration    18          0.779              1.436              0.907
 Vibration    19          0.791              1.407              0.861
 Vibration    20          0.798              1.387              0.833
 Vibration    21          0.803              1.375              0.815
 Vibration    22          0.806              1.369              0.807
 Vibration    23          0.840              1.285              0.699
 Vibration    24          0.851              1.261              0.670
 Vibration    25          0.877              1.201              0.605
 Vibration    26          0.883              1.188              0.592
 Vibration    27          0.895              1.162              0.566
 Vibration    28          0.900              1.151              0.555
 Vibration    29          0.932              1.085              0.494
 Vibration    30          0.945              1.057              0.471
 Vibration    31          0.971              1.006              0.429
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.484223-127       -127.314955       -293.153517
 Total V=0       0.590543D+22         21.771252         50.130160
 Vib (Bot)       0.115866-142       -142.936043       -329.122402
 Vib (Bot)    1  0.663183D+01          0.821633          1.891881
 Vib (Bot)    2  0.417377D+01          0.620528          1.428819
 Vib (Bot)    3  0.375639D+01          0.574771          1.323459
 Vib (Bot)    4  0.241366D+01          0.382677          0.881146
 Vib (Bot)    5  0.217931D+01          0.338319          0.779008
 Vib (Bot)    6  0.193649D+01          0.287015          0.660876
 Vib (Bot)    7  0.153246D+01          0.185388          0.426872
 Vib (Bot)    8  0.117349D+01          0.069480          0.159985
 Vib (Bot)    9  0.103331D+01          0.014232          0.032770
 Vib (Bot)   10  0.858392D+00         -0.066314         -0.152694
 Vib (Bot)   11  0.742507D+00         -0.129299         -0.297722
 Vib (Bot)   12  0.707823D+00         -0.150075         -0.345561
 Vib (Bot)   13  0.690209D+00         -0.161019         -0.370760
 Vib (Bot)   14  0.659493D+00         -0.180790         -0.416283
 Vib (Bot)   15  0.585542D+00         -0.232442         -0.535217
 Vib (Bot)   16  0.550973D+00         -0.258870         -0.596070
 Vib (Bot)   17  0.473159D+00         -0.324993         -0.748324
 Vib (Bot)   18  0.423786D+00         -0.372854         -0.858527
 Vib (Bot)   19  0.406123D+00         -0.391342         -0.901099
 Vib (Bot)   20  0.395366D+00         -0.403000         -0.927942
 Vib (Bot)   21  0.388450D+00         -0.410665         -0.945592
 Vib (Bot)   22  0.385378D+00         -0.414113         -0.953530
 Vib (Bot)   23  0.344058D+00         -0.463369         -1.066945
 Vib (Bot)   24  0.333380D+00         -0.477060         -1.098472
 Vib (Bot)   25  0.308424D+00         -0.510852         -1.176281
 Vib (Bot)   26  0.303637D+00         -0.517646         -1.191924
 Vib (Bot)   27  0.293590D+00         -0.532258         -1.225570
 Vib (Bot)   28  0.289545D+00         -0.538284         -1.239445
 Vib (Bot)   29  0.266117D+00         -0.574927         -1.323818
 Vib (Bot)   30  0.256999D+00         -0.590069         -1.358684
 Vib (Bot)   31  0.240889D+00         -0.618183         -1.423419
 Vib (V=0)       0.141307D+07          6.150163         14.161275
 Vib (V=0)    1  0.715065D+01          0.854346          1.967203
 Vib (V=0)    2  0.470361D+01          0.672431          1.548330
 Vib (V=0)    3  0.428952D+01          0.632409          1.456175
 Vib (V=0)    4  0.296491D+01          0.472011          1.086846
 Vib (V=0)    5  0.273593D+01          0.437105          1.006472
 Vib (V=0)    6  0.250000D+01          0.397939          0.916289
 Vib (V=0)    7  0.211196D+01          0.324686          0.747618
 Vib (V=0)    8  0.177557D+01          0.249338          0.574123
 Vib (V=0)    9  0.164793D+01          0.216938          0.499518
 Vib (V=0)   10  0.149340D+01          0.174175          0.401053
 Vib (V=0)   11  0.139516D+01          0.144625          0.333011
 Vib (V=0)   12  0.136661D+01          0.135645          0.312334
 Vib (V=0)   13  0.135228D+01          0.131068          0.301795
 Vib (V=0)   14  0.132761D+01          0.123069          0.283377
 Vib (V=0)   15  0.126997D+01          0.103795          0.238996
 Vib (V=0)   16  0.124402D+01          0.094829          0.218351
 Vib (V=0)   17  0.118839D+01          0.074959          0.172599
 Vib (V=0)   18  0.115543D+01          0.062745          0.144476
 Vib (V=0)   19  0.114416D+01          0.058485          0.134667
 Vib (V=0)   20  0.113743D+01          0.055924          0.128770
 Vib (V=0)   21  0.113316D+01          0.054292          0.125011
 Vib (V=0)   22  0.113128D+01          0.053571          0.123351
 Vib (V=0)   23  0.110694D+01          0.044124          0.101599
 Vib (V=0)   24  0.110095D+01          0.041768          0.096175
 Vib (V=0)   25  0.108747D+01          0.036419          0.083857
 Vib (V=0)   26  0.108497D+01          0.035420          0.081556
 Vib (V=0)   27  0.107982D+01          0.033353          0.076798
 Vib (V=0)   28  0.107779D+01          0.032532          0.074909
 Vib (V=0)   29  0.106641D+01          0.027924          0.064296
 Vib (V=0)   30  0.106218D+01          0.026199          0.060325
 Vib (V=0)   31  0.105500D+01          0.023253          0.053543
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.321588D+09          8.507300         19.588783
 Rotational      0.129953D+08          7.113788         16.380102
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.000000727    0.000004053    0.000006644
      2        6           0.000003065   -0.000008672   -0.000011693
      3        6           0.000005941    0.000006058    0.000003857
      4        1           0.000003250   -0.000000312   -0.000001210
      5        6          -0.000001420    0.000009196    0.000008936
      6        1          -0.000001643   -0.000001817   -0.000002251
      7        6          -0.000003939    0.000008091   -0.000004810
      8        1           0.000002058    0.000003161    0.000000564
      9        6          -0.000015950   -0.000009385   -0.000001549
     10        6           0.000005293    0.000009405    0.000000391
     11        6           0.000009584   -0.000040956   -0.000007620
     12        6          -0.000016518    0.000008065    0.000010697
     13        6           0.000006271   -0.000004800    0.000006807
     14        6          -0.000007262   -0.000001457   -0.000010258
     15        6           0.000018885    0.000010771   -0.000000638
     16        6          -0.000013956    0.000003841    0.000000905
     17        6           0.000003065    0.000001092   -0.000006770
     18        6           0.000003315   -0.000006214    0.000010773
     19        6           0.000011601   -0.000001173   -0.000010189
     20        6          -0.000004594    0.000003861   -0.000004920
     21        6          -0.000010091   -0.000010591   -0.000000566
     22        6           0.000007979    0.000001826    0.000003474
     23        6           0.000005067    0.000001723   -0.000003205
     24        6          -0.000007370   -0.000004068    0.000003561
     25        6           0.000001717   -0.000001736    0.000001556
     26        6          -0.000010810   -0.000002813   -0.000003404
     27        6           0.000000015   -0.000004054   -0.000010698
     28        6          -0.000000874    0.000010449    0.000010827
     29        6           0.000003989   -0.000008066    0.000003091
     30        6           0.000000766    0.000004473    0.000020881
     31        1          -0.000002690   -0.000000595   -0.000000621
     32        1          -0.000002149   -0.000000099    0.000001827
     33        1          -0.000001215   -0.000001056   -0.000000142
     34        1          -0.000001101   -0.000000943   -0.000000714
     35        1           0.000000024   -0.000000617    0.000000755
     36        1           0.000000671    0.000001377   -0.000000171
     37        1           0.000002346   -0.000000317    0.000000985
     38        1           0.000002311   -0.000002531    0.000000409
     39        1           0.000000778   -0.000001359   -0.000000012
     40        1           0.000001457   -0.000001965    0.000000314
     41       35          -0.000008002   -0.000010758   -0.000003298
     42        1           0.000009405    0.000038910   -0.000012513
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000040956 RMS     0.000008145
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.444506D+03 -0.183212D+02  0.459861D+02
      2  -0.183212D+02  0.409006D+03  0.438384D+02
      3   0.459861D+02  0.438384D+02  0.240155D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.198660D+03 -0.371749D+02  0.146679D+03
      2  -0.115181D+03 -0.751272D+02 -0.486377D+02
      3   0.135900D+03  0.645411D+03 -0.230206D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.665429D+03  0.469521D+02 -0.315191D+03
      2   0.229027D+03  0.132158D+02 -0.183335D+02
      3   0.436402D+03 -0.601679D+02  0.333525D+03
      4   0.111535D+03 -0.361104D+03 -0.323562D+03
      5  -0.130029D+03 -0.196958D+03  0.600319D+02
      6  -0.303341D+03  0.102035D+03 -0.175969D+03
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.138105D+01  0.164114D+01 -0.326328D+00  0.710257D+00 -0.965506D+00
      2   0.164114D+01 -0.204563D+01  0.582129D+00 -0.965506D+00  0.210713D+01
      3  -0.326328D+00  0.582129D+00 -0.119122D+01 -0.447937D+00  0.106195D+00
                 6             7             8             9            10 
      1  -0.447937D+00 -0.336487D+00  0.181197D+00 -0.778012D+00 -0.417191D+01
      2   0.106195D+00  0.181197D+00 -0.211344D+00  0.960025D+00  0.192482D+00
      3   0.127367D+01 -0.778012D+00  0.960025D+00 -0.310135D-01 -0.235544D+01
                11            12            13            14            15 
      1   0.192482D+00 -0.235544D+01 -0.242619D+01 -0.444982D+00 -0.150807D+01
      2  -0.648046D+00 -0.176564D+01 -0.444982D+00  0.210195D+01 -0.181653D+01
      3  -0.176564D+01 -0.709948D+01 -0.150807D+01 -0.181653D+01 -0.184111D+01
                16            17            18            19            20 
      1  -0.326364D+01 -0.191471D+00 -0.544167D+01  0.523204D+01 -0.996149D+00
      2  -0.191471D+00 -0.430002D+01  0.671772D+00 -0.996149D+00  0.335437D+01
      3  -0.544167D+01  0.671772D+00 -0.636698D+01  0.280994D+01  0.134943D+00
                21            22            23            24            25 
      1   0.280994D+01  0.252515D+01  0.189713D+01  0.218561D+01  0.347513D+01
      2   0.134943D+00  0.189713D+01  0.383535D+00  0.586347D+00 -0.133882D+01
      3  -0.159091D+00  0.218561D+01  0.586347D+00  0.331804D+00  0.379190D+01
                26            27            28            29            30 
      1  -0.133882D+01  0.379190D+01  0.769139D+00  0.287490D+00  0.138995D+01
      2   0.925545D+00 -0.170467D+01  0.287490D+00  0.549596D-01  0.636717D-01
      3  -0.170467D+01  0.105534D+02  0.138995D+01  0.636717D-01  0.178447D+01
                31            32            33            34            35 
      1   0.300212D+00  0.813330D+00  0.114698D+01  0.139043D+01  0.114148D+01
      2   0.813330D+00  0.213279D+01  0.288566D+01  0.114148D+01  0.196552D+01
      3   0.114698D+01  0.288566D+01  0.558969D+01  0.195630D+01  0.309300D+01
                36            37            38            39            40 
      1   0.195630D+01  0.460428D+01  0.122439D+01  0.170967D+01  0.732425D+01
      2   0.309300D+01  0.122439D+01  0.192472D+01  0.128299D+01 -0.147386D+01
      3   0.618371D+01  0.170967D+01  0.128299D+01  0.232945D+01  0.195527D+01
                41            42            43            44            45 
      1  -0.147386D+01  0.195527D+01  0.436690D+01 -0.379218D+01  0.516704D+01
      2   0.240801D+01 -0.294123D+00 -0.379218D+01  0.369464D+01 -0.291573D+01
      3  -0.294123D+00 -0.167748D+01  0.516704D+01 -0.291573D+01  0.940223D+01
                46            47            48            49            50 
      1   0.796657D+01 -0.139268D+01  0.606362D+01 -0.744977D+00  0.862828D+00
      2  -0.139268D+01  0.713063D+00 -0.131508D+01  0.862828D+00 -0.273554D+00
      3   0.606362D+01 -0.131508D+01  0.574877D+01  0.115077D+00  0.685870D+00
                51            52            53            54            55 
      1   0.115077D+00  0.536044D+01 -0.314215D+00  0.469049D+01 -0.733766D+00
      2   0.685870D+00 -0.314215D+00  0.368840D+00 -0.353437D+00  0.915741D+00
      3   0.939078D+00  0.469049D+01 -0.353437D+00  0.476870D+01 -0.323479D+01
                56            57            58            59            60 
      1   0.915741D+00 -0.323479D+01 -0.499196D+01  0.789631D+00 -0.499108D+01
      2  -0.172095D+01  0.195378D+01  0.789631D+00 -0.413715D+01  0.338604D+01
      3   0.195378D+01 -0.180900D+01 -0.499108D+01  0.338604D+01 -0.582783D+01
                61            62            63            64            65 
      1  -0.958046D+01  0.184266D+01 -0.551838D+01  0.507506D+01 -0.426755D+01
      2   0.184266D+01  0.790479D+00 -0.277876D-01 -0.426755D+01  0.427712D+01
      3  -0.551838D+01 -0.277876D-01 -0.548755D+01  0.103832D+01 -0.111473D+01
                66            67            68            69            70 
      1   0.103832D+01 -0.463725D+01  0.453390D+01 -0.446338D+00  0.455453D+00
      2  -0.111473D+01  0.453390D+01 -0.545730D+01  0.679989D+00  0.313842D-01
      3   0.712029D+00 -0.446338D+00  0.679989D+00 -0.521990D+00  0.513914D+00
                71            72            73            74            75 
      1   0.313842D-01  0.513914D+00  0.123601D+02 -0.314398D+01  0.111303D+02
      2  -0.649608D+00 -0.592872D+00 -0.314398D+01  0.201075D+01 -0.153382D+01
      3  -0.592872D+00  0.106680D+00  0.111303D+02 -0.153382D+01  0.107608D+02
                76            77            78            79            80 
      1  -0.165033D+02  0.363591D+01 -0.181968D+02 -0.211070D+01 -0.520801D-01
      2   0.363591D+01 -0.676036D+01 -0.303968D+00 -0.520801D-01 -0.655242D+00
      3  -0.181968D+02 -0.303968D+00 -0.206242D+02 -0.194836D+01 -0.218334D+01
                81            82            83            84            85 
      1  -0.194836D+01  0.174865D+02 -0.103219D+02  0.950470D+01  0.767388D+01
      2  -0.218334D+01 -0.103219D+02  0.169671D+02 -0.112616D+01 -0.188558D+01
      3  -0.532009D+01  0.950470D+01 -0.112616D+01  0.112723D+02  0.577159D+01
                86            87            88            89            90 
      1  -0.188558D+01  0.577159D+01  0.104227D+02 -0.618184D+01  0.128536D+02
      2  -0.819876D+00  0.206548D+01 -0.618184D+01  0.151030D+02 -0.452482D+01
      3   0.206548D+01  0.660749D+01  0.128536D+02 -0.452482D+01  0.136600D+02
                91            92            93            94            95 
      1  -0.219135D+02  0.487886D+01 -0.182231D+02  0.984383D+01 -0.289436D+00
      2   0.487886D+01 -0.571683D+01  0.137164D+01 -0.289436D+00  0.424790D+01
      3  -0.182231D+02  0.137164D+01 -0.180919D+02  0.126236D+02  0.840795D+00
                96            97            98            99           100 
      1   0.126236D+02 -0.376582D+01  0.296356D+01 -0.331498D+01  0.107636D+02
      2   0.840795D+00  0.296356D+01 -0.895211D+00  0.274607D+01  0.170188D+01
      3   0.146474D+02 -0.331498D+01  0.274607D+01 -0.267549D+01  0.948626D+01
               101           102           103           104           105 
      1   0.170188D+01  0.948626D+01  0.261227D+02 -0.221453D+02  0.152540D+02
      2  -0.504905D+01 -0.897328D-01 -0.221453D+02  0.398947D+02 -0.907877D+01
      3  -0.897328D-01  0.847131D+01  0.152540D+02 -0.907877D+01  0.983817D+01
               106           107           108           109           110 
      1   0.187106D+02 -0.100829D+02  0.132978D+02 -0.734052D+01 -0.502293D+01
      2  -0.100829D+02  0.165487D+02 -0.398792D+01 -0.502293D+01  0.781630D+01
      3   0.132978D+02 -0.398792D+01  0.117912D+02 -0.809604D+01  0.769589D+00
               111           112           113           114           115 
      1  -0.809604D+01 -0.288924D+02  0.258530D+02 -0.176325D+02 -0.153766D+02
      2   0.769589D+00  0.258530D+02 -0.461826D+02  0.118850D+02  0.926694D+01
      3  -0.547494D+01 -0.176325D+02  0.118850D+02 -0.115547D+02 -0.115545D+02
               116           117           118           119           120 
      1   0.926694D+01 -0.115545D+02 -0.218744D+02  0.187874D+02 -0.117453D+02
      2  -0.133635D+02  0.317880D+01  0.187874D+02 -0.315910D+02  0.818476D+01
      3   0.317880D+01 -0.103291D+02 -0.117453D+02  0.818476D+01 -0.842891D+01
               121           122           123           124           125 
      1   0.629976D+01 -0.122655D+02  0.391934D+01 -0.909348D+01  0.903927D+01
      2  -0.122655D+02  0.146012D+02 -0.468795D+01  0.903927D+01 -0.112044D+02
      3   0.391934D+01 -0.468795D+01  0.328502D+01 -0.672012D+01  0.182927D+01
               126           127           128           129           130 
      1  -0.672012D+01  0.201028D+02 -0.100858D+02  0.667834D+01  0.776942D+00
      2   0.182927D+01 -0.100858D+02  0.664698D+02 -0.561946D+01  0.145759D+02
      3  -0.113045D+02  0.667834D+01 -0.561946D+01  0.252159D+01 -0.869710D+00
               131           132           133           134           135 
      1   0.145759D+02 -0.869710D+00  0.617145D+01  0.130985D+01  0.158765D+01
      2   0.178666D+02  0.414343D+01  0.130985D+01  0.244253D+02 -0.376071D+00
      3   0.414343D+01 -0.111387D+00  0.158765D+01 -0.376071D+00  0.612948D+00
               136           137           138           139           140 
      1  -0.202510D+02  0.736842D+01 -0.581791D+01 -0.731810D+00 -0.872999D+01
      2   0.736842D+01 -0.663800D+02  0.654919D+01 -0.872999D+01 -0.146273D+02
      3  -0.581791D+01  0.654919D+01 -0.173567D+01 -0.760910D+00 -0.187795D+01
               141           142           143           144           145 
      1  -0.760910D+00 -0.472455D+01  0.137855D+01 -0.445887D+01 -0.107714D+02
      2  -0.187795D+01  0.137855D+01 -0.231560D+02  0.145346D+01  0.353212D+00
      3  -0.569993D+00 -0.445887D+01  0.145346D+01 -0.232095D+01 -0.474596D+01
               146           147           148           149           150 
      1   0.353212D+00 -0.474596D+01  0.104730D+02  0.597473D+00  0.908093D+01
      2  -0.116057D+02 -0.122326D+00  0.597473D+00  0.358993D+02 -0.198403D+01
      3  -0.122326D+00 -0.442797D+01  0.908093D+01 -0.198403D+01  0.688201D+01
               151           152           153           154           155 
      1   0.277562D+01  0.227035D+01 -0.319157D+01  0.166151D+02 -0.403503D+01
      2   0.227035D+01  0.526373D+01  0.348577D+00 -0.403503D+01  0.138842D+02
      3  -0.319157D+01  0.348577D+00 -0.442200D+01  0.127893D+02 -0.221928D+01
               156           157           158           159           160 
      1   0.127893D+02 -0.124671D+02 -0.111283D+01 -0.590873D+01  0.415027D+01
      2  -0.221928D+01 -0.111283D+01 -0.207790D+02  0.259514D+01 -0.189227D+00
      3   0.990579D+01 -0.590873D+01  0.259514D+01 -0.400783D+01  0.312729D+01
               161           162           163           164           165 
      1  -0.189227D+00  0.312729D+01  0.349613D+02  0.187901D+02 -0.177447D+01
      2   0.246721D+01 -0.537713D+01  0.187901D+02  0.301594D+02 -0.292359D+00
      3  -0.537713D+01 -0.410626D+00 -0.177447D+01 -0.292359D+00  0.833255D+00
               166           167           168           169           170 
      1  -0.165179D+02 -0.154705D+02 -0.386701D+00 -0.418664D+01 -0.453239D+01
      2  -0.154705D+02 -0.491419D+02 -0.211711D+01 -0.453239D+01 -0.145898D+02
      3  -0.386701D+00 -0.211711D+01 -0.293026D+00  0.651664D+00 -0.100390D+01
               171           172           173           174           175 
      1   0.651664D+00 -0.316407D+02 -0.173101D+02  0.182661D+01  0.212612D+02
      2  -0.100390D+01 -0.173101D+02 -0.273598D+02  0.126527D+01  0.211544D+02
      3  -0.415931D+00  0.182661D+01  0.126527D+01  0.379951D+00 -0.284671D+00
               176           177           178           179           180 
      1   0.211544D+02 -0.284671D+00  0.383713D+01  0.462389D+01 -0.188047D+01
      2   0.594261D+02  0.124118D+01  0.462389D+01  0.130792D+02  0.224808D+01
      3   0.124118D+01  0.326467D+00 -0.188047D+01  0.224808D+01  0.109766D+01
               181           182           183           184           185 
      1   0.145875D+02  0.878381D+01 -0.297476D+00  0.222798D+02  0.270902D+01
      2   0.878381D+01  0.104956D+02 -0.177727D+01  0.270902D+01  0.261570D+02
      3  -0.297476D+00 -0.177727D+01 -0.106344D+01  0.286108D+01 -0.390869D+01
               186           187           188           189           190 
      1   0.286108D+01  0.969678D+01  0.119391D+01 -0.294285D+01 -0.425648D+01
      2  -0.390869D+01  0.119391D+01  0.580202D+01  0.329757D+01 -0.435922D+01
      3   0.157845D+01 -0.294285D+01  0.329757D+01  0.584831D+00  0.174928D+01
               191           192           193           194           195 
      1  -0.435922D+01  0.174928D+01 -0.227664D+02  0.319704D+01 -0.233144D-01
      2   0.395085D+01 -0.152661D+01  0.319704D+01 -0.378832D+02  0.473503D+01
      3  -0.152661D+01 -0.801368D+00 -0.233144D-01  0.473503D+01 -0.546600D+00
               196           197           198           199           200 
      1  -0.438994D+01  0.170367D+01 -0.467397D+01 -0.162428D+02 -0.121896D+02
      2   0.170367D+01 -0.648837D+01 -0.879949D+00 -0.121896D+02 -0.911470D+01
      3  -0.467397D+01 -0.879949D+00 -0.217751D+01 -0.103743D+00  0.917748D+00
               201           202           203           204           205 
      1  -0.103743D+00 -0.408856D+02 -0.785350D+01  0.938193D+01 -0.181966D+02
      2   0.917748D+00 -0.785350D+01 -0.108439D+02  0.562992D-01 -0.248399D+01
      3  -0.766648D-02  0.938193D+01  0.562992D-01 -0.219842D+01  0.312288D+01
               206           207           208           209           210 
      1  -0.248399D+01  0.312288D+01 -0.275192D+02 -0.149561D+02  0.409270D+01
      2  -0.379721D+01 -0.105178D+01 -0.149561D+02 -0.351028D+02 -0.176484D+01
      3  -0.105178D+01 -0.174003D+01  0.409270D+01 -0.176484D+01 -0.340669D+01
               211           212           213           214           215 
      1  -0.133627D+02 -0.165627D+02  0.237771D+01 -0.173630D+01 -0.252646D+01
      2  -0.165627D+02 -0.359559D+02 -0.148970D+01 -0.252646D+01 -0.918789D+01
      3   0.237771D+01 -0.148970D+01 -0.734291D+00 -0.485400D+01  0.102205D+01
               216           217           218           219           220 
      1  -0.485400D+01  0.421693D+02  0.138273D+02 -0.841840D+01 -0.645882D+01
      2   0.102205D+01  0.138273D+02  0.291634D+02  0.122576D+01  0.285275D+00
      3   0.232956D+01 -0.841840D+01  0.122576D+01  0.371354D+01  0.192983D+01
               221           222           223           224           225 
      1   0.285275D+00  0.192983D+01 -0.462483D+01 -0.427893D+00  0.359038D+01
      2   0.913082D+01 -0.142310D+01 -0.427893D+00 -0.879793D+00  0.539814D+01
      3  -0.142310D+01  0.221125D-01  0.359038D+01  0.539814D+01  0.183676D+01
               226           227           228           229           230 
      1  -0.915823D+01  0.322959D+01  0.455616D+01  0.458523D+02  0.106854D+02
      2   0.322959D+01  0.164800D+01 -0.340571D+00  0.106854D+02  0.131665D+02
      3   0.455616D+01 -0.340571D+00 -0.153811D+01 -0.104488D+02 -0.401412D-01
               231           232           233           234           235 
      1  -0.104488D+02  0.165454D+02  0.329799D+01 -0.453843D+01 -0.463911D+01
      2  -0.401412D-01  0.329799D+01  0.285882D+01  0.140286D+01 -0.581430D+01
      3   0.235031D+01 -0.453843D+01  0.140286D+01  0.257586D+01 -0.856595D+00
               236           237           238           239           240 
      1  -0.581430D+01 -0.856595D+00  0.355400D+01  0.263938D+01 -0.254968D+00
      2  -0.601757D+01  0.562416D+00  0.263938D+01  0.352322D+01 -0.196932D+01
      3   0.562416D+00  0.410494D+00 -0.254968D+00 -0.196932D+01  0.358543D+00
               241           242           243           244           245 
      1   0.407790D+01  0.249042D+01  0.150823D+01  0.125542D+02  0.348680D+01
      2   0.249042D+01 -0.338457D+00  0.264884D+01  0.348680D+01  0.758326D+01
      3   0.150823D+01  0.264884D+01  0.214712D+01 -0.168368D+01  0.790171D+00
               246           247           248           249           250 
      1  -0.168368D+01  0.626218D+01 -0.378213D+01 -0.570599D+01  0.122017D+01
      2   0.790171D+00 -0.378213D+01 -0.289358D+01 -0.745057D+00 -0.400385D+01
      3   0.269510D+01 -0.570599D+01 -0.745057D+00  0.136945D+01  0.241544D+01
               251           252           253           254           255 
      1  -0.400385D+01  0.241544D+01  0.194064D+02  0.315133D+01 -0.478451D+01
      2  -0.460935D+01  0.179936D+01  0.315133D+01  0.421324D+01  0.400339D+00
      3   0.179936D+01 -0.863344D+00 -0.478451D+01  0.400339D+00  0.114574D+01
               256           257           258           259           260 
      1  -0.519076D+01  0.189157D+01  0.141430D+01 -0.566290D+01 -0.121505D+01
      2   0.189157D+01  0.286098D+01  0.864488D-01 -0.121505D+01  0.970994D+00
      3   0.141430D+01  0.864488D-01  0.112360D+01  0.414072D+01  0.812505D+00
               261           262           263           264           265 
      1   0.414072D+01 -0.242430D+02  0.410562D+00  0.801482D+01 -0.115100D+01
      2   0.812505D+00  0.410562D+00 -0.362626D+01 -0.171962D+01 -0.701200D+00
      3  -0.210078D+01  0.801482D+01 -0.171962D+01 -0.343813D+01  0.154007D+01
               266           267           268           269           270 
      1  -0.701200D+00  0.154007D+01  0.290176D+01  0.128629D+01 -0.168050D+01
      2  -0.313028D+01  0.732137D+00  0.128629D+01  0.348122D+01 -0.230619D+01
      3   0.732137D+00 -0.110653D+01 -0.168050D+01 -0.230619D+01 -0.869000D+00
               271           272           273           274           275 
      1   0.328517D+01 -0.419447D+01  0.559282D-01 -0.297529D+01  0.451345D+01
      2  -0.419447D+01  0.621558D+01 -0.106436D+00  0.451345D+01 -0.882471D+01
      3   0.559282D-01 -0.106436D+00  0.815493D+00  0.801193D+00 -0.100432D+01
               276           277           278           279           280 
      1   0.801193D+00  0.856024D+00  0.126138D+00  0.752175D+00 -0.850725D+00
      2  -0.100432D+01  0.126138D+00 -0.137490D+01 -0.595167D+00 -0.598374D+00
      3  -0.345632D+00  0.752175D+00 -0.595167D+00 -0.718981D-01 -0.108817D+01
               281           282           283           284           285 
      1  -0.598374D+00 -0.108817D+01 -0.217929D+00 -0.118480D+01 -0.350658D+00
      2  -0.180649D+01 -0.665172D+00 -0.118480D+01 -0.992193D+01 -0.465042D+01
      3  -0.665172D+00 -0.135272D+01 -0.350658D+00 -0.465042D+01 -0.314020D+01
               286           287           288           289           290 
      1  -0.974064D+00 -0.124203D+01 -0.617686D+00 -0.119613D+02 -0.316343D+01
      2  -0.124203D+01 -0.506026D+01 -0.343522D+01 -0.316343D+01 -0.125437D+01
      3  -0.617686D+00 -0.343522D+01 -0.204742D+01 -0.489924D+01 -0.112180D+01
               291           292           293           294           295 
      1  -0.489924D+01 -0.162152D+01 -0.205214D+01 -0.109411D+01 -0.467753D+01
      2  -0.112180D+01 -0.205214D+01 -0.471371D-01 -0.816117D+00 -0.135214D+01
      3  -0.290045D+01 -0.109411D+01 -0.816117D+00 -0.902454D+00 -0.198631D+01
               296           297           298           299           300 
      1  -0.135214D+01 -0.198631D+01 -0.138865D+01 -0.230237D+01 -0.101973D+01
      2  -0.837897D+00 -0.105039D+01 -0.230237D+01 -0.148153D+01 -0.165224D+01
      3  -0.105039D+01 -0.114105D+01 -0.101973D+01 -0.165224D+01 -0.100475D+01
               301           302           303           304           305 
      1  -0.223249D+01 -0.353829D+01 -0.190393D+01 -0.111414D+01 -0.261573D+01
      2  -0.353829D+01 -0.962982D+01 -0.466218D+01 -0.261573D+01 -0.470668D+01
      3  -0.190393D+01 -0.466218D+01 -0.303237D+01 -0.133441D+01 -0.247379D+01
               306           307           308           309           310 
      1  -0.133441D+01 -0.882654D+01  0.573019D+01  0.365918D+00  0.628976D+01
      2  -0.247379D+01  0.573019D+01 -0.327872D+01 -0.429429D-01 -0.498881D+01
      3  -0.213997D+01  0.365918D+00 -0.429429D-01 -0.641911D+00 -0.616566D+00
               311           312           313           314           315 
      1  -0.498881D+01 -0.616566D+00  0.696939D+00 -0.755604D+00 -0.449954D+00
      2   0.551884D+01  0.662645D+00 -0.755604D+00  0.124767D+01 -0.151449D+00
      3   0.662645D+00  0.557873D+00 -0.449954D+00 -0.151449D+00  0.167910D+00
               316           317           318           319           320 
      1  -0.151026D+02 -0.765614D+00 -0.317092D+01 -0.191161D+01 -0.140386D+01
      2  -0.765614D+00 -0.227646D+00 -0.178415D+00 -0.140386D+01 -0.129840D+01
      3  -0.317092D+01 -0.178415D+00 -0.148252D+01 -0.800007D+00 -0.483938D+00
               321           322           323           324           325 
      1  -0.800007D+00 -0.414361D+01 -0.558900D+00 -0.106543D+01 -0.657350D+01
      2  -0.483938D+00 -0.558900D+00 -0.197683D-02  0.326642D+00  0.470420D+01
      3  -0.341782D+00 -0.106543D+01  0.326642D+00 -0.593916D+00  0.148813D+01
               326           327           328           329           330 
      1   0.470420D+01  0.148813D+01  0.349375D+01 -0.519446D+01 -0.149227D+01
      2  -0.546916D+01 -0.129467D+01 -0.519446D+01  0.629367D+01  0.157999D+01
      3  -0.129467D+01 -0.937449D+00 -0.149227D+01  0.157999D+01  0.109886D+01
               331           332           333           334           335 
      1   0.104613D+01 -0.185577D+01 -0.895297D-01  0.114493D+01  0.178957D+01
      2  -0.185577D+01  0.940703D+00  0.990168D+00  0.178957D+01  0.226163D+01
      3  -0.895297D-01  0.990168D+00  0.281115D+00  0.226797D+00  0.420828D+00
               336           337           338           339           340 
      1   0.226797D+00  0.517212D+00  0.364612D+00  0.227961D+00 -0.328554D+00
      2   0.420828D+00  0.364612D+00  0.134186D+02  0.374080D+01 -0.197092D-01
      3   0.262689D+00  0.227961D+00  0.374080D+01  0.179653D+01 -0.258226D+00
               341           342           343           344           345 
      1  -0.197092D-01 -0.258226D+00  0.135064D+01  0.191596D+01  0.428136D+00
      2   0.458471D+01  0.121130D+01  0.191596D+01  0.261643D+01  0.524795D+00
      3   0.121130D+01  0.888629D+00  0.428136D+00  0.524795D+00  0.366280D+00
               346           347           348           349           350 
      1   0.149376D+01  0.340368D+01  0.105597D+01  0.658202D+00  0.890136D+00
      2   0.340368D+01  0.110840D+02  0.293080D+01  0.890136D+00  0.366166D+01
      3   0.105597D+01  0.293080D+01  0.155685D+01  0.272231D+00  0.132981D+01
               351           352           353           354           355 
      1   0.272231D+00  0.100427D+02  0.467057D+01 -0.405979D+00  0.319179D+01
      2   0.132981D+01  0.467057D+01  0.299977D+01 -0.152977D+00  0.248719D+01
      3   0.761647D+00 -0.405979D+00 -0.152977D+00  0.782203D+00  0.384500D+00
               356           357           358           359           360 
      1   0.248719D+01  0.384500D+00  0.552190D-01  0.447636D+00  0.114898D+00
      2   0.226951D+01  0.202079D+00  0.447636D+00  0.602363D+00  0.160623D+00
      3   0.202079D+00  0.306818D+00  0.114898D+00  0.160623D+00  0.238719D+00
               361           362           363           364           365 
      1   0.118415D+02 -0.222460D+01 -0.245631D+01  0.126518D+01  0.565194D+01
      2  -0.222460D+01  0.198511D+01  0.238209D+00  0.565194D+01 -0.316743D+01
      3  -0.245631D+01  0.238209D+00  0.235789D+01 -0.187352D+00 -0.248601D+01
               366           367           368           369           370 
      1  -0.187352D+00 -0.438605D+00  0.881060D+00  0.547478D+01 -0.147848D+01
      2  -0.248601D+01  0.881060D+00 -0.116519D+01 -0.146527D+01 -0.696662D+00
      3  -0.121772D+01  0.547478D+01 -0.146527D+01 -0.667065D+01  0.992295D-01
               371           372           373           374           375 
      1  -0.696662D+00  0.992295D-01 -0.824177D+00 -0.496670D+00  0.284378D+00
      2  -0.126826D+01  0.303911D+00 -0.496670D+00 -0.271678D+01  0.120501D-01
      3   0.303911D+00 -0.275743D+00  0.284378D+00  0.120501D-01 -0.124458D+01
               376           377           378 
      1  -0.145157D+00 -0.634148D+00  0.268872D+00
      2  -0.634148D+00 -0.130922D+01 -0.472034D+00
      3   0.268872D+00 -0.472034D+00 -0.488898D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.774062D+01 -0.121340D+02  0.324433D+01 -0.661196D+01  0.131636D+02
      2   0.713748D+01 -0.899926D+01  0.410184D+01 -0.489744D+01  0.774969D+01
      3  -0.404102D+01  0.124184D+01  0.711840D-01  0.660230D+01 -0.648701D+01
                 6             7             8             9            10 
      1  -0.248386D+01  0.112251D+01  0.178104D+01  0.460486D+01 -0.160959D+02
      2  -0.103236D+01  0.179838D+01 -0.661544D+00  0.349268D+01  0.863708D+01
      3   0.230427D+01 -0.267479D+01 -0.773881D+00 -0.386141D+01  0.266213D+02
                11            12            13            14            15 
      1   0.616171D+01 -0.333521D+02 -0.124176D+02  0.161058D+02 -0.157387D+02
      2   0.642401D+01 -0.429282D+01  0.387212D+01  0.774174D+01  0.324006D+01
      3  -0.147252D+02  0.367038D+02  0.218316D+02 -0.211662D+02  0.153064D+02
                16            17            18            19            20 
      1  -0.174979D+02 -0.517334D+01 -0.587668D+01  0.138360D+02  0.495255D+01
      2  -0.115309D+02  0.814373D+01  0.266640D+01 -0.625154D+00 -0.248950D+01
      3   0.259972D+02 -0.856146D+01  0.243702D+02 -0.247064D+02  0.488078D+01
                21            22            23            24            25 
      1   0.171447D+02  0.137335D+02  0.928774D+01  0.414453D+00  0.778292D+01
      2   0.434631D+01 -0.173886D+01 -0.708813D+01 -0.471319D+01 -0.634883D+01
      3  -0.290526D+02 -0.108464D+02 -0.250081D+02 -0.284752D+01 -0.229264D+02
                26            27            28            29            30 
      1  -0.102803D+01  0.230437D+02  0.263093D+01 -0.164921D+01  0.205222D+01
      2   0.569171D+01  0.634210D+01  0.221058D+00 -0.143794D+01 -0.334784D+00
      3   0.142115D+02 -0.336038D+02 -0.331691D+01  0.171718D+01 -0.418361D+01
                31            32            33            34            35 
      1   0.382453D+01  0.134888D+02  0.156595D+02  0.715550D+01  0.152361D+02
      2  -0.397238D+00  0.218595D+01  0.681347D+01 -0.350807D+01  0.145168D+01
      3  -0.156275D+01 -0.803187D+01 -0.129602D+02 -0.314932D+01 -0.972737D+01
                36            37            38            39            40 
      1   0.176643D+02  0.156438D+02  0.538334D+01  0.529889D+01  0.899958D+01
      2   0.233937D+01 -0.674960D+01 -0.174554D+01 -0.680683D+00 -0.129410D+02
      3  -0.108220D+02 -0.267313D+02 -0.149167D+02 -0.112489D+02 -0.312545D+02
                41            42            43            44            45 
      1  -0.847703D+01  0.510714D+01  0.887183D+01 -0.142227D+01  0.290584D+02
      2  -0.307684D+00 -0.181740D+01  0.141646D+01 -0.141367D+01  0.108740D+02
      3   0.130962D+02 -0.145910D+02 -0.224263D+02  0.316386D+02 -0.263650D+02
                46            47            48            49            50 
      1   0.910195D+01  0.813324D+00  0.846731D+01  0.232740D+01  0.760301D+00
      2  -0.975508D+01  0.374583D+00 -0.106138D+01  0.376616D+01 -0.133259D+01
      3  -0.168103D+02 -0.143737D+00 -0.122249D+02  0.391042D+00 -0.114072D+01
                51            52            53            54            55 
      1   0.419264D+01  0.104867D+02  0.235526D+01  0.958932D+01 -0.235470D+02
      2   0.310477D+01 -0.744982D+01  0.470129D+00 -0.238916D+01 -0.121294D+02
      3  -0.260663D+01 -0.154818D+02 -0.270142D+01 -0.133827D+02  0.163688D+02
                56            57            58            59            60 
      1   0.175596D+02 -0.162226D+02 -0.211037D+02  0.323368D+01 -0.213562D+02
      2   0.158580D+02  0.336749D+01  0.206360D+01  0.104720D+02 -0.978081D+00
      3  -0.252334D+02  0.176546D+02  0.300179D+02 -0.647181D+01  0.209109D+02
                61            62            63            64            65 
      1  -0.274101D+02  0.260924D+02 -0.288416D+02 -0.530913D+01  0.492279D+01
      2  -0.483173D+01  0.537204D+01 -0.171995D+02 -0.771378D+01  0.559836D+01
      3   0.574084D+02 -0.473044D+02  0.422269D+02 -0.858720D+01  0.231618D+01
                66            67            68            69            70 
      1   0.414445D+00  0.713471D+01 -0.851033D+01 -0.320999D+01  0.709006D+00
      2   0.355363D+00  0.895265D+01 -0.872283D+01 -0.226141D+01 -0.130597D+01
      3  -0.374999D-02  0.846122D+01 -0.310627D+01  0.927537D+00 -0.895898D+00
                71            72            73            74            75 
      1  -0.272377D+01 -0.137582D+01  0.512565D+02 -0.253147D+02  0.512707D+02
      2  -0.710094D+00 -0.121359D+01  0.191395D+02 -0.756420D+01  0.160357D+02
      3   0.330495D+01  0.304800D+00 -0.891259D+02  0.508046D+02 -0.801327D+02
                76            77            78            79            80 
      1  -0.787238D+02 -0.311803D+02 -0.964708D+02 -0.180231D+01 -0.233321D+02
      2  -0.215589D+01 -0.241536D+02 -0.899249D+01 -0.303957D+01 -0.139199D+02
      3   0.131480D+03 -0.224209D+01  0.157155D+03  0.204405D+02  0.362075D+02
                81            82            83            84            85 
      1  -0.163585D+02  0.447616D+02 -0.393825D+01  0.470943D+02  0.181065D+02
      2  -0.112289D+02  0.194153D+02  0.297651D+00  0.142636D+02  0.607496D+01
      3   0.309708D+02 -0.148742D+03  0.968816D+02 -0.854285D+02 -0.590122D+02
                86            87            88            89            90 
      1   0.253203D+02  0.244947D+02  0.632579D+02 -0.460065D+01  0.721285D+02
      2   0.166091D+02  0.840628D+01 -0.296294D+01  0.827279D+01  0.482260D+01
      3  -0.957624D+01 -0.570782D+02 -0.930796D+02  0.538755D+02 -0.119221D+03
                91            92            93            94            95 
      1  -0.483642D+02 -0.125182D+02 -0.555660D+02  0.376863D+02  0.426140D+01
      2   0.243930D+02 -0.181917D+02  0.159367D+02  0.262623D+00  0.277887D+01
      3   0.947332D+02 -0.325967D+02  0.882252D+02 -0.640273D+02  0.451200D+01
                96            97            98            99           100 
      1   0.426044D+02  0.284715D+01 -0.111085D+02  0.120801D+01  0.148701D+02
      2  -0.552636D+01  0.479838D+01 -0.110241D+02 -0.328594D+01 -0.652828D+01
      3  -0.737134D+02 -0.147185D+01  0.232075D+02  0.331751D+01 -0.337718D+02
               101           102           103           104           105 
      1   0.861320D+01  0.188777D+02  0.630500D+02 -0.376713D+02  0.332408D+02
      2   0.124500D+02  0.334423D-01  0.102568D+02 -0.628939D+00  0.279654D+01
      3  -0.417399D+02 -0.407112D+02 -0.169343D+03  0.208546D+03 -0.802928D+02
               106           107           108           109           110 
      1   0.354098D+02 -0.131514D+01  0.285097D+02 -0.263339D+02 -0.190271D+02
      2  -0.165223D+02  0.185011D+01 -0.168427D+02  0.164969D+01 -0.195400D+02
      3  -0.852593D+02  0.121394D+03 -0.567816D+02  0.608634D+02  0.542103D+02
               111           112           113           114           115 
      1  -0.248546D+02 -0.942351D+02  0.677189D+02 -0.550251D+02 -0.494306D+02
      2  -0.621145D+01 -0.189270D+02  0.234765D+02 -0.669512D+01 -0.259269D+02
      3   0.573885D+02  0.240741D+03 -0.325203D+03  0.132208D+03  0.119224D+03
               116           117           118           119           120 
      1   0.313814D+02 -0.368392D+02 -0.626382D+02  0.450120D+02 -0.408264D+02
      2   0.117227D+02 -0.905649D+01 -0.122339D+02  0.118415D+02 -0.485685D+01
      3  -0.106047D+03  0.724613D+02  0.191682D+03 -0.213425D+03  0.107321D+03
               121           122           123           124           125 
      1   0.271639D+02 -0.340423D+02  0.156335D+02 -0.368782D+02  0.169828D+02
      2   0.120486D+02 -0.173964D+02  0.501626D+01 -0.178892D+02  0.126040D+02
      3  -0.585275D+02  0.131008D+03 -0.324132D+02  0.692900D+02 -0.856558D+02
               126           127           128           129           130 
      1  -0.508219D+02  0.442399D+02 -0.716041D+02  0.159510D+02 -0.502296D+01
      2  -0.110976D+02  0.998786D+01 -0.357979D+02  0.363873D+01 -0.103544D+02
      3   0.553495D+02 -0.611400D+02  0.355552D+03 -0.271948D+02  0.800999D+02
               131           132           133           134           135 
      1  -0.170109D+02 -0.225766D+00  0.580823D+01 -0.648341D+01 -0.537232D+01
      2  -0.174475D+02 -0.188637D+01 -0.194801D+02 -0.150568D+02 -0.722309D+01
      3   0.769684D+02  0.197819D+02  0.283130D+02  0.136615D+03  0.320720D+01
               136           137           138           139           140 
      1  -0.473024D+02  0.923451D+02 -0.186622D+02  0.690228D+01  0.183496D+02
      2  -0.110161D+02  0.686415D+02 -0.538594D+01  0.219794D+02  0.210402D+02
      3   0.668882D+02 -0.472719D+03  0.429627D+02 -0.663072D+02 -0.952243D+02
               141           142           143           144           145 
      1   0.238702D+00 -0.117526D+02  0.572722D+02 -0.270878D+01 -0.173282D+02
      2   0.672333D+01 -0.272563D+00  0.294318D+02  0.109353D+01 -0.104534D+02
      3  -0.161649D+02 -0.725860D+01 -0.159684D+03  0.548909D+01  0.510233D+02
               146           147           148           149           150 
      1   0.375197D+01 -0.149157D+02  0.331464D+02 -0.671877D+02  0.249834D+02
      2   0.112099D+02  0.344094D+01 -0.865226D+01 -0.483717D+02 -0.436643D+01
      3  -0.736228D+02  0.202771D+02 -0.183800D+02  0.255645D+03 -0.334267D+02
               151           152           153           154           155 
      1  -0.133141D+02  0.115716D+02 -0.107055D+02  0.553843D+02 -0.196976D+02
      2   0.120900D+02 -0.771488D+01  0.820185D+01  0.205791D+02 -0.207352D+02
      3   0.119735D+01  0.440539D+02  0.150439D+02 -0.120407D+03  0.111155D+03
               156           157           158           159           160 
      1   0.398646D+02 -0.213238D+02  0.310250D+02 -0.191074D+02  0.989673D+01
      2   0.698241D+01 -0.119480D+01  0.102805D+02  0.402375D+00 -0.853727D+01
      3  -0.758576D+02  0.404415D+02 -0.130514D+03  0.345516D+02 -0.453981D+02
               161           162           163           164           165 
      1  -0.977593D+01  0.976479D+01 -0.109235D+02 -0.411827D+02  0.124999D+01
      2   0.286741D+02  0.985251D+01 -0.117747D+02 -0.129694D+02 -0.176610D+01
      3   0.164987D+02 -0.559965D+02  0.144064D+03  0.162845D+03 -0.136699D+01
               166           167           168           169           170 
      1  -0.252981D+01  0.378222D+02  0.590211D+00 -0.815249D+01  0.374364D+02
      2   0.192205D+02  0.256492D+02  0.251217D+01 -0.185279D+02  0.133632D+02
      3  -0.118040D+03 -0.233037D+03 -0.158094D+02 -0.696900D+01 -0.867865D+02
               171           172           173           174           175 
      1  -0.493495D+01  0.223317D+02  0.409091D+02  0.242204D+01 -0.513150D+00
      2   0.252655D+01  0.423571D+02  0.259940D+02  0.830987D+00 -0.127238D+02
      3  -0.723626D+00 -0.228245D+03 -0.209368D+03  0.311527D+01  0.159774D+03
               176           177           178           179           180 
      1  -0.677709D+02  0.441218D+01  0.105563D+02 -0.952362D+00  0.127832D+01
      2  -0.537433D+02 -0.250027D+01 -0.108014D+02 -0.245237D+02 -0.645143D+01
      3   0.380677D+03  0.668540D+01  0.117016D+02  0.937764D+02  0.327512D+01
               181           182           183           184           185 
      1  -0.187570D+02 -0.232388D+02  0.441556D+00 -0.193844D+01 -0.400254D+02
      2  -0.268168D+02 -0.904453D+01  0.406945D+01 -0.189417D+02 -0.189822D+02
      3   0.131549D+03  0.976984D+02 -0.780477D+01  0.779817D+02  0.193512D+03
               186           187           188           189           190 
      1   0.193518D-01  0.146223D+02 -0.378913D+01 -0.314443D+01  0.100012D+02
      2  -0.419399D+01 -0.245089D+01 -0.410320D+02 -0.919369D+01  0.495844D+01
      3  -0.171660D+02  0.283347D+02  0.514825D+02  0.177792D+02 -0.508713D+02
               191           192           193           194           195 
      1  -0.108637D+02  0.310779D+01 -0.241494D+02  0.484174D+02 -0.729388D+01
      2  -0.712563D+01  0.714427D+01 -0.109747D+02  0.411319D+02 -0.303575D+01
      3   0.361449D+02 -0.107121D+02 -0.447657D+01 -0.285924D+03  0.333204D+02
               196           197           198           199           200 
      1   0.376154D+00  0.340931D+02  0.581755D+01  0.390564D+01  0.163866D+02
      2   0.187623D+02  0.223536D+02  0.108876D+02 -0.695303D+01 -0.560067D+01
      3  -0.696259D+01 -0.411628D+02 -0.152611D+02 -0.464533D+02 -0.379371D+02
               201           202           203           204           205 
      1   0.410756D+00  0.218055D+01  0.120595D+02 -0.385839D+00 -0.806262D+00
      2  -0.724744D+00  0.153211D+02  0.129049D+00 -0.213155D+01 -0.621103D+01
      3  -0.180018D+01 -0.196125D+03 -0.516371D+02  0.436529D+02 -0.884512D+02
               206           207           208           209           210 
      1   0.219636D+02  0.359357D+01  0.558993D+01  0.398211D+02  0.716576D+01
      2  -0.819732D+00  0.309872D+01  0.245696D+02  0.320218D+02  0.324014D+01
      3  -0.509406D+02  0.175731D+02 -0.197831D+03 -0.222584D+03  0.164640D+02
               211           212           213           214           215 
      1  -0.678278D+01  0.370281D+02 -0.355507D+01  0.314747D+02  0.179172D+02
      2   0.126118D+02  0.421768D+02  0.406127D+00  0.111310D+01 -0.364567D+01
      3  -0.114258D+03 -0.252396D+03  0.605435D+01 -0.247797D+02 -0.536285D+02
               216           217           218           219           220 
      1  -0.553253D+01 -0.656281D+01 -0.391618D+02 -0.351311D+01  0.556291D+01
      2   0.186393D+00 -0.366515D+02 -0.164253D+02  0.375086D+01  0.100473D+02
      3  -0.228952D+02  0.290842D+03  0.158981D+03 -0.479840D+02 -0.360013D+02
               221           222           223           224           225 
      1   0.594838D+01 -0.487921D+01 -0.143608D+02 -0.200847D+02 -0.102111D+02
      2  -0.801227D+01 -0.300088D+01 -0.203634D+02 -0.154967D+02 -0.751587D+01
      3   0.548795D+02  0.107526D+02 -0.335948D+02  0.854667D+01  0.430880D+02
               226           227           228           229           230 
      1   0.203421D+01  0.132203D+00 -0.137968D+01  0.503557D+01 -0.260628D+02
      2  -0.399487D+01 -0.177187D+02 -0.304663D+01 -0.329044D+02 -0.241503D+01
      3  -0.430741D+02  0.802500D+02  0.207198D+02  0.313682D+03  0.827340D+02
               231           232           233           234           235 
      1   0.219467D+01 -0.119513D+01  0.226972D-01 -0.395299D+01 -0.380965D+01
      2   0.856324D+01 -0.307873D+02 -0.549444D+01  0.658100D+01  0.109376D+02
      3  -0.731295D+02  0.104039D+03  0.223633D+02 -0.256819D+02 -0.575291D+02
               236           237           238           239           240 
      1   0.296182D+01  0.884774D+00  0.102712D+01  0.206683D+01 -0.275132D+01
      2   0.174662D+02 -0.170673D+01  0.188699D+01 -0.295604D+01  0.793978D+00
      3  -0.846810D+02  0.682977D+01  0.265674D+02  0.475028D+01 -0.302190D+01
               241           242           243           244           245 
      1  -0.876193D+01 -0.954424D+01 -0.835944D+01 -0.388491D+00 -0.653838D+01
      2  -0.192707D+02  0.333212D+01  0.100346D+02 -0.504118D+01 -0.531246D+01
      3   0.276258D+02  0.287543D+02 -0.123365D+01  0.650544D+02  0.318955D+02
               246           247           248           249           250 
      1  -0.746091D+01  0.148211D+02  0.302722D+01 -0.188371D+01 -0.143423D+02
      2   0.704667D+01 -0.166886D+00 -0.190646D+01 -0.402986D+01  0.607037D+01
      3  -0.825084D+01  0.817715D+01 -0.236417D+02 -0.947021D+01 -0.631805D+00
               251           252           253           254           255 
      1   0.674160D+01  0.746213D+01  0.716131D+01  0.212963D+01 -0.503639D+01
      2   0.904444D+01 -0.360511D+01 -0.229635D+02 -0.315926D+01  0.186639D+01
      3  -0.217815D+02  0.172720D+02  0.137143D+03  0.282334D+02 -0.456677D+02
               256           257           258           259           260 
      1   0.424406D+01 -0.114043D+02 -0.542543D+01 -0.100883D+02  0.730304D+01
      2  -0.409309D+01  0.342127D+01  0.879907D+01 -0.117530D+02 -0.312314D+01
      3   0.279345D+01  0.838968D+01 -0.129804D+02 -0.220654D+02 -0.180533D+02
               261           262           263           264           265 
      1   0.933782D+01 -0.917745D+01  0.233809D+01  0.515189D+01 -0.463164D+01
      2   0.645670D+01  0.101301D+02  0.860916D+01 -0.567126D-01  0.502852D+01
      3   0.130457D+02 -0.134098D+03 -0.303324D+02  0.424620D+02 -0.263310D+01
               266           267           268           269           270 
      1  -0.172346D+01  0.264678D-02  0.201779D+01  0.541912D+01  0.400327D+01
      2  -0.860152D+00 -0.356765D+01 -0.121081D+02 -0.446728D+01 -0.318984D+01
      3   0.189679D+02  0.798663D+01 -0.215198D+01 -0.614129D+01  0.881325D+01
               271           272           273           274           275 
      1   0.221489D+01 -0.240005D+01  0.586631D+01  0.325753D+01 -0.352208D+01
      2   0.115039D+01 -0.116130D+01  0.269757D+01 -0.497039D+00  0.118353D+01
      3  -0.172840D+02  0.171186D+02 -0.237918D+01  0.163450D+02 -0.202216D+02
               276           277           278           279           280 
      1  -0.240831D+01  0.233684D+01  0.464276D+00 -0.400530D+00 -0.521998D+01
      2  -0.110715D+01  0.101900D+01  0.202016D+00  0.219806D+00 -0.132889D+01
      3  -0.541404D+01 -0.877828D+01  0.734815D+00 -0.496302D+01  0.615647D+01
               281           282           283           284           285 
      1  -0.118958D+01 -0.679900D+01 -0.102387D+01 -0.114562D+02 -0.126086D+02
      2   0.320640D+00 -0.424431D+00 -0.116212D+01  0.167925D+01  0.190634D+01
      3  -0.303289D+01  0.654599D+01  0.987541D+00 -0.316505D+01 -0.243980D+01
               286           287           288           289           290 
      1  -0.887198D+00 -0.859182D+01 -0.579249D+01 -0.843337D+01  0.544768D+00
      2  -0.188005D+01  0.347854D+00  0.129313D+01  0.174978D+01  0.917363D+00
      3   0.699922D+01  0.277671D+01 -0.266006D+00  0.127643D+02 -0.266240D+01
               291           292           293           294           295 
      1  -0.578731D+01 -0.635562D-01 -0.171797D+01 -0.152137D+01 -0.121718D+01
      2   0.733791D+01  0.367548D+01 -0.112392D+01  0.259219D+01 -0.165627D+01
      3   0.600040D+01 -0.588363D+01  0.768183D+01 -0.632353D+00  0.494858D+01
               296           297           298           299           300 
      1  -0.182906D+01 -0.312953D+00  0.494364D+00 -0.347328D+01 -0.104708D+01
      2   0.116079D+01  0.261334D+01  0.254187D+01  0.177668D+01  0.336509D+01
      3  -0.205504D-02 -0.170985D+01 -0.610931D+01  0.341212D+01 -0.489199D+01
               301           302           303           304           305 
      1  -0.114420D+01  0.313437D+00 -0.519953D+01  0.525344D+00  0.210904D+01
      2   0.132765D+01  0.122915D+02  0.816068D+01  0.228727D+01  0.221939D+01
      3  -0.195551D+01 -0.268711D+02 -0.119989D+02 -0.561123D+01 -0.896594D+01
               306           307           308           309           310 
      1  -0.349509D+01 -0.338735D+01  0.581186D+00  0.265465D+01  0.344575D+01
      2   0.429381D+01 -0.368778D+01 -0.278203D-01  0.438338D+01  0.375604D+01
      3  -0.387020D+01  0.122328D+02 -0.596323D+01  0.552106D+00 -0.971633D+01
               311           312           313           314           315 
      1  -0.452612D+01 -0.346526D+01 -0.227097D+00  0.639015D+00 -0.137464D+00
      2  -0.662090D+01 -0.461480D+01 -0.477687D+00  0.248013D+01 -0.187109D+00
      3   0.218741D+02  0.321965D+01 -0.137531D+01  0.660503D+01 -0.298703D+01
               316           317           318           319           320 
      1   0.134507D+01  0.763084D+00  0.311931D+00  0.975294D+00  0.277010D+01
      2   0.699866D+01  0.243048D+00  0.863730D+01  0.367293D+01  0.402963D+01
      3  -0.154589D+02 -0.330811D+01 -0.420686D+01 -0.765411D+01 -0.116826D+02
               321           322           323           324           325 
      1   0.187112D+00 -0.355792D-02 -0.448288D-01 -0.703195D+00 -0.174722D+01
      2   0.250920D+01 -0.164556D+00 -0.168657D+01  0.153139D+01  0.245348D+01
      3  -0.375202D+01 -0.660136D+01 -0.372022D+01  0.213523D+01 -0.166137D+02
               326           327           328           329           330 
      1   0.232076D+01  0.413521D+01  0.408443D+01 -0.117123D+01 -0.469103D+01
      2   0.375234D+00  0.331101D+01  0.164564D+01  0.862980D-01 -0.299461D+01
      3  -0.103077D+01  0.185362D+01 -0.209461D+00 -0.361169D+01 -0.201992D+01
               331           332           333           334           335 
      1  -0.321239D+01 -0.106773D+01 -0.120333D+01 -0.111969D+01 -0.105971D+01
      2  -0.149041D+01  0.792540D-01 -0.144701D+01 -0.265553D+01 -0.241811D+01
      3  -0.143657D+01 -0.698421D+01  0.427125D+01  0.131216D+02  0.123048D+02
               336           337           338           339           340 
      1  -0.127800D+01 -0.129751D+01 -0.771218D+01 -0.860189D+01  0.299983D+01
      2   0.228477D-01 -0.179399D+01 -0.704615D+01 -0.248387D+01  0.101548D+01
      3   0.103341D+01  0.563368D+01  0.257666D+02  0.913423D+01 -0.211731D+01
               341           342           343           344           345 
      1   0.219368D+01 -0.256283D+01 -0.138459D+01 -0.934361D+00 -0.152183D+01
      2  -0.765624D+00 -0.108477D+00  0.914632D+00 -0.480664D-01  0.542912D+00
      3   0.731681D+01 -0.817753D+00  0.383578D+00  0.254701D+01  0.193786D+01
               346           347           348           349           350 
      1  -0.289430D+01 -0.727536D+01 -0.823188D+01 -0.547828D+00 -0.130394D+01
      2  -0.692245D-01  0.361385D+01  0.280547D+01 -0.370279D+00  0.518942D+00
      3   0.485343D+01 -0.126884D+01 -0.382093D-02  0.284330D+01 -0.319203D+01
               351           352           353           354           355 
      1  -0.263249D+01 -0.171274D+00 -0.322281D+00 -0.311745D+01 -0.254831D+01
      2   0.499375D+00 -0.132589D+01 -0.557488D+00  0.460480D+01  0.253924D+01
      3  -0.299847D-01  0.291657D+02  0.767998D+01 -0.168257D+01  0.546919D+01
               356           357           358           359           360 
      1  -0.128178D+01 -0.122339D+01  0.106370D+01  0.134299D+00 -0.635161D+00
      2   0.113145D+01  0.131426D+01 -0.133995D+01 -0.906378D+00  0.643900D+00
      3   0.270495D+01  0.202377D+01 -0.428011D+01  0.711100D+00 -0.221663D+00
               361           362           363           364           365 
      1   0.338089D+01 -0.519900D+01 -0.168922D+01 -0.764763D+00  0.989783D+01
      2   0.552410D+01  0.158320D+01  0.151149D+02 -0.266542D+01 -0.544544D+01
      3   0.858397D+01 -0.320950D+02  0.100491D+01  0.965842D+01  0.344851D+02
               366           367           368           369           370 
      1  -0.559602D+01 -0.839941D+01  0.136223D+02  0.849347D+01  0.762289D-01
      2  -0.515490D+01 -0.193705D+01 -0.591679D+01 -0.117100D+02 -0.204523D+01
      3   0.998794D+00  0.833817D+01  0.132669D+02  0.192331D+02  0.864859D+00
               371           372           373           374           375 
      1   0.304274D+01 -0.453401D+00  0.900887D-02  0.574266D+01 -0.719397D+00
      2  -0.201197D+01  0.164029D+00 -0.275886D+01 -0.429694D+01  0.218700D+00
      3  -0.266937D+00  0.174446D+01  0.648790D+01  0.122720D+02 -0.403250D-01
               376           377           378 
      1   0.180819D+01  0.595436D+01 -0.728593D+00
      2  -0.143838D+01 -0.125033D+01 -0.606401D+00
      3  -0.871870D+00  0.447259D+01  0.146759D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.373773D+01 -0.450399D+01  0.360760D+01  0.130280D+01  0.100447D+00
      2  -0.175610D+01  0.209624D+01  0.312831D+01  0.206507D+01 -0.174776D+01
      3  -0.198162D+01  0.240775D+01 -0.673592D+01 -0.336787D+01  0.164731D+01
      4   0.465471D+00 -0.969362D+00  0.610810D+00 -0.557620D-01  0.579983D+00
      5  -0.808392D+01  0.771705D+01  0.262243D+01  0.748556D+01 -0.900656D+01
      6   0.391959D+01 -0.575770D+01 -0.194808D+00 -0.302310D+01  0.703000D+01
                 6             7             8             9            10 
      1  -0.388995D+01  0.281185D+01 -0.489083D+01  0.120894D+01 -0.130257D+02
      2  -0.484551D+01  0.148638D+01 -0.116716D+01 -0.198595D+01  0.154635D+02
      3   0.873546D+01 -0.429823D+01  0.605799D+01  0.777013D+00 -0.243778D+01
      4   0.504626D+00  0.171460D+01 -0.854739D-01  0.490068D+00  0.230929D+02
      5  -0.442190D+01  0.115940D+01 -0.113872D+01 -0.424559D+01 -0.275493D+02
      6   0.290260D+01 -0.137892D+00  0.218512D+01  0.398725D+01  0.142238D+02
                11            12            13            14            15 
      1   0.143735D+02  0.109294D+02 -0.141470D+02  0.868966D+01 -0.850133D+01
      2   0.926524D+00  0.335434D+02  0.180902D+02 -0.505189D+01  0.157441D+02
      3  -0.153001D+02 -0.444728D+02 -0.394321D+01 -0.363777D+01 -0.724281D+01
      4   0.379855D+00  0.859189D+01  0.926063D+01  0.167968D+02  0.889841D+01
      5   0.844861D+01  0.323688D+01 -0.149530D+02  0.127122D+01  0.389870D+00
      6  -0.698709D+01  0.157913D+02  0.140600D+02  0.517281D+01  0.133140D+02
                16            17            18            19            20 
      1  -0.125676D+02  0.959000D+01 -0.467322D+01  0.207151D+02 -0.195710D+02
      2   0.354375D+02 -0.943367D+01  0.278189D+02 -0.169167D+02  0.102868D+02
      3  -0.228698D+02 -0.156331D+00 -0.231456D+02 -0.379833D+01  0.928415D+01
      4   0.165327D+02  0.554011D+00  0.274743D+02 -0.281617D+02  0.792108D+01
      5  -0.138059D+02  0.180783D+02 -0.259248D+02  0.253427D+02 -0.227627D+02
      6   0.261941D+02 -0.123919D+02  0.220768D+02 -0.224712D+02  0.178335D+02
                21            22            23            24            25 
      1   0.163907D+02 -0.180515D+01  0.204129D+02  0.124867D+02  0.477553D+01
      2   0.432839D+01 -0.161334D+02 -0.141357D+02 -0.850605D+01 -0.211247D+02
      3  -0.207191D+02  0.179385D+02 -0.627720D+01 -0.398067D+01  0.163492D+02
      4  -0.193014D+02  0.139471D+02 -0.358317D+01  0.169339D+01 -0.178344D+02
      5   0.172400D+01  0.122963D+02  0.128451D+02  0.179322D+02  0.221866D+02
      6  -0.185633D+01  0.811547D+01 -0.121140D+02 -0.359941D+01 -0.218502D+02
                26            27            28            29            30 
      1  -0.132913D+01 -0.233161D+02 -0.180740D+01  0.249689D+00 -0.321981D+01
      2   0.121968D+02 -0.446366D+02 -0.783708D+01 -0.110481D+01 -0.100850D+02
      3  -0.108677D+02  0.679527D+02  0.964447D+01  0.855119D+00  0.133048D+02
      4  -0.198116D+01 -0.181780D+02  0.501755D+00  0.241804D+01  0.632419D+00
      5  -0.176473D+02  0.981702D+01  0.644892D+01  0.359924D+01  0.125345D+02
      6   0.364945D+01 -0.433989D+02  0.109486D+01  0.162422D+01 -0.185795D+01
                31            32            33            34            35 
      1  -0.383843D+01 -0.124300D+02 -0.230589D+02 -0.461187D+01 -0.106564D+02
      2  -0.605683D+01 -0.115828D+02 -0.265262D+02 -0.107970D+02 -0.148791D+02
      3   0.989526D+01  0.240128D+02  0.495851D+02  0.154089D+02  0.255355D+02
      4   0.400360D+01  0.697350D+01  0.860654D+01  0.390997D+01  0.557594D+01
      5   0.531509D+01  0.589953D+01  0.925688D+01  0.111397D+02  0.876459D+01
      6   0.626316D+01  0.161265D+02  0.194381D+02  0.670732D+01  0.124745D+02
                36            37            38            39            40 
      1  -0.241202D+02  0.163071D+01  0.125391D+02 -0.544730D+01  0.334011D+02
      2  -0.326860D+02 -0.760015D+01 -0.218432D+02 -0.966590D+01 -0.187774D+02
      3   0.568062D+02  0.596944D+01  0.930406D+01  0.151132D+02 -0.146237D+02
      4   0.953867D+01  0.196441D+01  0.682625D+01  0.550383D+01 -0.352530D+02
      5   0.178944D+02 -0.349427D+01  0.143823D+02  0.561682D+00  0.190789D+02
      6   0.208540D+02  0.883131D+01 -0.296600D+01  0.833763D+01 -0.233265D+02
                41            42            43            44            45 
      1  -0.201247D+02  0.136610D+02 -0.198463D+02 -0.317367D+01 -0.428227D+02
      2   0.933429D+01  0.146708D+02  0.108596D+01  0.710714D+01 -0.158200D+02
      3   0.107904D+02 -0.283318D+02  0.187604D+02 -0.393347D+01  0.586427D+02
      4   0.109550D+02 -0.168748D+02 -0.333977D+02  0.196839D+02 -0.233054D+02
      5  -0.213411D+02 -0.699389D+01  0.787818D+01 -0.208584D+02  0.134770D+02
      6   0.189556D+02  0.546201D+01 -0.375136D+02  0.354262D+02 -0.459493D+02
                46            47            48            49            50 
      1   0.251355D+02 -0.104482D+01  0.916320D+01 -0.389564D+01  0.877769D+00
      2  -0.452672D+02  0.579056D+01 -0.369361D+02 -0.208437D+01 -0.276561D+01
      3   0.201317D+02 -0.474574D+01  0.277729D+02  0.598001D+01  0.188784D+01
      4  -0.252879D+02  0.914820D+01 -0.193352D+02  0.931763D+01 -0.348105D+01
      5   0.648856D+02 -0.110009D+02  0.540662D+02 -0.232647D+01  0.684936D+01
      6  -0.251815D+02  0.100028D+02 -0.243014D+02  0.695044D+01 -0.358385D+01
                51            52            53            54            55 
      1  -0.387945D+01  0.128340D+02  0.179941D+00  0.598528D+01  0.168479D+02
      2  -0.649842D+01 -0.358929D+02  0.153439D+01 -0.348374D+02 -0.446475D+01
      3   0.103779D+02  0.230589D+02 -0.171433D+01  0.288521D+02 -0.123832D+02
      4   0.599653D+01 -0.123877D+02  0.417021D+01 -0.110848D+02  0.151437D+02
      5   0.187894D+01  0.474508D+02 -0.445482D+01  0.452308D+02 -0.179598D+01
      6   0.427099D+01 -0.143485D+02  0.556792D+01 -0.148256D+02  0.154306D+02
                56            57            58            59            60 
      1   0.466162D+01  0.143110D+02  0.121460D+01 -0.164217D+02  0.172442D+02
      2  -0.493627D+01 -0.928875D+01  0.254965D+02  0.103951D+01  0.467633D+01
      3   0.274648D+00 -0.502222D+01 -0.267111D+02  0.153822D+02 -0.219206D+02
      4  -0.133115D+02  0.176436D+02  0.960585D+01 -0.229979D+01  0.267838D+02
      5   0.140454D+02  0.605025D+01 -0.239612D+02  0.202887D+02 -0.201974D+02
      6  -0.228226D+02  0.977069D+01  0.285351D+02 -0.343717D+02  0.374199D+02
                61            62            63            64            65 
      1  -0.135740D+02  0.306691D+02  0.107800D+02  0.121194D+02 -0.352141D+01
      2   0.277284D+02 -0.312721D+02  0.163706D+02  0.116102D+02 -0.169510D+02
      3  -0.141543D+02  0.603007D+00 -0.271507D+02 -0.237296D+02  0.204724D+02
      4   0.398871D+02  0.216612D+01  0.160017D+02 -0.457598D+02  0.415281D+02
      5  -0.216986D+02  0.157674D+02 -0.857730D+01  0.148317D+02 -0.128341D+02
      6   0.275570D+02  0.169455D+01  0.124450D+02 -0.196000D+02  0.216054D+02
                66            67            68            69            70 
      1  -0.308120D+00 -0.608740D+01 -0.213219D+01  0.186847D+01  0.226839D+01
      2   0.263017D+01 -0.202962D+02  0.315677D+02 -0.372815D+01 -0.380723D+01
      3  -0.232205D+01  0.263836D+02 -0.294355D+02  0.185968D+01  0.153884D+01
      4  -0.947275D+01  0.446003D+02 -0.474383D+02  0.565249D+01 -0.736483D+00
      5   0.702818D+01 -0.962017D+01  0.939494D+01 -0.460441D+01  0.607465D+01
      6  -0.930333D+01  0.176792D+02 -0.221952D+02  0.727101D+01 -0.508752D+01
                71            72            73            74            75 
      1  -0.205207D+01 -0.198810D+00 -0.252793D+02 -0.846060D+01 -0.244210D+02
      2   0.719610D+01  0.243497D+01 -0.229371D+02  0.111508D+02 -0.249125D+02
      3  -0.514403D+01 -0.223616D+01  0.482164D+02 -0.269022D+01  0.493335D+02
      4  -0.294376D+01 -0.556093D+01 -0.470459D+02  0.110793D+02 -0.351077D+02
      5  -0.436112D+01  0.194375D+01  0.204223D+02 -0.147452D+02  0.175938D+02
      6   0.293952D+01 -0.234733D+01 -0.389153D+02  0.445030D+01 -0.328020D+02
                76            77            78            79            80 
      1   0.387883D+02 -0.361270D+02  0.232691D+02  0.291812D+00 -0.109468D+02
      2   0.436026D+02  0.519899D+02  0.834217D+02  0.119024D+02  0.225717D+02
      3  -0.823909D+02 -0.158629D+02 -0.106691D+03 -0.121942D+02 -0.116249D+02
      4   0.454235D+02 -0.265421D+02  0.428893D+02 -0.247864D+01 -0.785374D+01
      5  -0.426911D+02 -0.611167D+01 -0.412211D+02 -0.488314D+01 -0.928080D+01
      6   0.556383D+02 -0.394899D+01  0.665695D+02  0.309362D+01  0.157615D+02
                81            82            83            84            85 
      1  -0.653812D+01 -0.543400D+02  0.853519D+02 -0.993765D+01 -0.162226D+02
      2   0.383664D+02 -0.232675D+00 -0.798786D+02 -0.364340D+02 -0.143476D+02
      3  -0.318283D+02  0.545727D+02 -0.547328D+01  0.463717D+02  0.305702D+02
      4  -0.163114D+00 -0.443086D+02  0.229054D+02 -0.229750D+02 -0.246195D+02
      5  -0.201206D+02  0.129225D+02  0.869861D+01  0.252618D+02  0.114712D+02
      6   0.117876D+02 -0.226566D+02 -0.127972D+02 -0.433017D+02 -0.972632D+01
                86            87            88            89            90 
      1  -0.603624D+01  0.360451D+01 -0.473856D+02  0.824854D+02 -0.296482D+02
      2   0.195009D+01 -0.474770D+02  0.181628D+01 -0.100528D+03 -0.249606D+02
      3   0.408615D+01  0.438725D+02  0.455694D+02  0.180423D+02  0.546088D+02
      4   0.287610D+02 -0.621409D+01 -0.141228D+02  0.157750D+02 -0.302453D+02
      5   0.550805D+01  0.190458D+02  0.293087D+02  0.396670D+01  0.231615D+02
      6  -0.198911D+02 -0.123053D+02 -0.476079D+02  0.288757D+02 -0.558899D+02
                91            92            93            94            95 
      1   0.647681D+02 -0.300994D+02  0.390543D+02 -0.749950D+01  0.386824D+01
      2   0.214836D+02  0.313561D+02  0.506391D+02 -0.486871D+02 -0.134640D+02
      3  -0.862516D+02 -0.125667D+01 -0.896934D+02  0.561866D+02  0.959575D+01
      4   0.596725D+02 -0.276932D+02  0.455104D+02 -0.344788D+02  0.228190D+01
      5  -0.358338D+02 -0.524055D+01 -0.295398D+02  0.277927D+02 -0.721329D+01
      6   0.536432D+02 -0.450022D+01  0.604672D+02 -0.473064D+02  0.227557D+01
                96            97            98            99           100 
      1  -0.765798D+01  0.312502D+02 -0.209111D+02  0.227081D+02 -0.382256D+02
      2  -0.616856D+02 -0.177924D+02  0.129303D+02 -0.674496D+01 -0.111818D+02
      3   0.693436D+02 -0.134578D+02  0.798075D+01 -0.159631D+02  0.494075D+02
      4  -0.425141D+02  0.857416D+01 -0.276786D+02  0.612784D+01 -0.314034D+02
      5   0.343945D+02 -0.354739D+00 -0.357029D+01 -0.461758D+01  0.320221D+01
      6  -0.489893D+02  0.440287D+01 -0.342016D+01  0.486072D+01 -0.256014D+02
               101           102           103           104           105 
      1  -0.139104D+02 -0.232401D+02 -0.117129D+03  0.157883D+03 -0.730705D+02
      2   0.562735D+00 -0.215794D+02  0.532623D+02 -0.122772D+03  0.314851D+02
      3   0.133477D+02  0.448196D+02  0.638668D+02 -0.351111D+02  0.415855D+02
      4   0.393597D+02 -0.232393D+02 -0.599787D+02 -0.201324D+02 -0.440837D+02
      5   0.180161D+02  0.148811D+02 -0.291111D+00 -0.366503D+02 -0.274941D+01
      6   0.104074D+01 -0.252866D+02 -0.560303D+02  0.187837D+02 -0.311829D+02
               106           107           108           109           110 
      1  -0.874336D+02  0.697558D+02 -0.487015D+02 -0.116322D+02  0.580813D+02
      2   0.268630D+02 -0.508156D+02 -0.486317D+01  0.505285D+02 -0.689138D+02
      3   0.605706D+02 -0.189402D+02  0.535646D+02 -0.388963D+02  0.108325D+02
      4  -0.424793D+02  0.114069D+02 -0.312861D+02  0.617241D+02  0.366931D+02
      5   0.614005D+01 -0.682809D+01 -0.105449D+01  0.134530D+02  0.160103D+02
      6  -0.393307D+02  0.717691D+01 -0.382291D+02  0.389925D+02 -0.111675D+02
               111           112           113           114           115 
      1   0.308217D+02  0.146715D+03 -0.189349D+03  0.835614D+02  0.625838D+02
      2   0.186978D-01 -0.697464D+02  0.156155D+03 -0.223949D+02 -0.114710D+02
      3  -0.308404D+02 -0.769683D+02  0.331945D+02 -0.611665D+02 -0.511128D+02
      4   0.448420D+02  0.614372D+02 -0.140413D+02  0.373576D+02  0.455620D+02
      5   0.957796D+01 -0.746135D+01  0.293544D+02 -0.268915D+01  0.100645D+01
      6   0.233340D+02  0.541572D+02 -0.230138D+02  0.365713D+02  0.419591D+02
               116           117           118           119           120 
      1  -0.499756D+02  0.365348D+02  0.100626D+03 -0.147921D+03  0.470877D+02
      2   0.199624D+02 -0.251992D+01 -0.468033D+02  0.156139D+03  0.123254D+01
      3   0.300133D+02 -0.340149D+02 -0.538226D+02 -0.821746D+01 -0.483203D+02
      4  -0.995516D+01  0.408592D+02  0.516691D+02 -0.530075D+02  0.179004D+02
      5   0.261400D+02 -0.233451D+00 -0.217028D+02 -0.512169D+01 -0.193874D+02
      6   0.818190D+00  0.368586D+02  0.276408D+02 -0.322119D+02  0.220182D+02
               121           122           123           124           125 
      1  -0.570958D+02  0.795289D+02 -0.179992D+02  0.499301D+02 -0.431776D+02
      2   0.508174D+02 -0.550732D+02  0.849127D+01 -0.370371D+02  0.364413D+02
      3   0.627842D+01 -0.244557D+02  0.950793D+01 -0.128930D+02  0.673630D+01
      4   0.999727D+01  0.301924D+02 -0.159717D+01  0.151733D+02 -0.420697D+02
      5   0.618150D+01 -0.113976D+02  0.639996D+01 -0.160868D+01 -0.373651D+01
      6  -0.115110D+02 -0.760815D+01 -0.171929D+02  0.261040D+02 -0.545222D+01
               126           127           128           129           130 
      1   0.109436D+02 -0.114563D+03  0.133871D+03 -0.381034D+02 -0.184232D+02
      2   0.496265D+01  0.721380D+02 -0.535803D+02  0.289324D+02  0.146310D+02
      3  -0.159062D+02  0.424247D+02 -0.802908D+02  0.917091D+01  0.379216D+01
      4   0.117454D+02 -0.822849D+01 -0.141407D+03 -0.622962D+01  0.508048D+01
      5  -0.181540D+02 -0.110925D+02 -0.966650D+02 -0.352885D+01 -0.110712D+02
      6   0.510349D+02 -0.179477D+02  0.273293D+01 -0.792535D+01  0.213882D+02
               131           132           133           134           135 
      1  -0.556704D+02  0.132358D+02 -0.312755D+02  0.216672D+02 -0.125937D+02
      2   0.633328D+02 -0.208201D+02  0.262478D+02  0.565878D+01  0.445626D+01
      3  -0.766247D+01  0.758428D+01  0.502772D+01 -0.273260D+02  0.813744D+01
      4  -0.476355D+02  0.139916D+02  0.664421D+01 -0.552515D+02  0.973427D+00
      5  -0.351470D+02  0.601561D+01 -0.129476D+02 -0.396786D+02 -0.871452D+01
      6  -0.957993D+01 -0.151345D+01  0.164217D+00 -0.148388D+00  0.495646D+00
               136           137           138           139           140 
      1   0.140040D+03 -0.140388D+03  0.389128D+02 -0.386515D+02  0.617362D+02
      2  -0.802349D+02  0.569838D+02 -0.169905D+02  0.304304D+02 -0.882614D+02
      3  -0.598049D+02  0.834040D+02 -0.219223D+02  0.822108D+01  0.265252D+02
      4  -0.104887D+02  0.131968D+03 -0.735840D+01  0.604056D+02  0.749833D+02
      5   0.880445D+01  0.992784D+02 -0.330987D+01  0.182131D+02  0.515266D+02
      6   0.784741D+01  0.198589D+01  0.848659D+01  0.226351D+02 -0.139330D+01
               141           142           143           144           145 
      1  -0.178712D+01  0.615169D+01 -0.262991D+02  0.204895D+02  0.326766D+02
      2   0.247487D+01 -0.602383D+01 -0.448470D+01 -0.244986D+02  0.503032D+01
      3  -0.687743D+00 -0.127860D+00  0.307838D+02  0.400906D+01 -0.377069D+02
      4   0.237344D+02  0.108280D+02  0.602974D+02  0.138912D+02  0.524405D+02
      5   0.881982D+01  0.314543D+02  0.514936D+02  0.130459D+02 -0.131541D+02
      6   0.744312D+01  0.180433D+02  0.127819D+01  0.803703D+00  0.175568D+02
               146           147           148           149           150 
      1  -0.286686D+02  0.586109D+01 -0.714306D+01  0.253918D+02 -0.352159D+02
      2   0.136676D+02  0.371547D+00 -0.127139D+02  0.403314D+02  0.258455D+02
      3   0.150010D+02 -0.623264D+01  0.198570D+02 -0.657232D+02  0.937032D+01
      4   0.483405D+02  0.245163D+02 -0.621838D+02 -0.120446D+03 -0.422956D+02
      5   0.165267D+02  0.899541D+01 -0.361447D+02 -0.844173D+02 -0.258594D+02
      6   0.104861D+02  0.188154D+02 -0.477066D+02 -0.621656D+01 -0.262623D+02
               151           152           153           154           155 
      1  -0.246138D+02 -0.154692D+02  0.673825D+01 -0.483491D+02  0.157429D+02
      2  -0.120787D+02  0.246606D+02 -0.217632D+02 -0.931013D+01  0.469580D+02
      3   0.366925D+02 -0.919142D+01  0.150250D+02  0.576592D+02 -0.627009D+02
      4  -0.411552D+02 -0.261680D+02  0.450231D+01 -0.785817D+02 -0.412756D+02
      5   0.243288D+02 -0.215264D+02  0.242741D+02 -0.205624D+02 -0.548409D+02
      6   0.766860D+01  0.284416D+01  0.824308D+01 -0.537759D+02 -0.138134D+01
               156           157           158           159           160 
      1  -0.447867D+02  0.543619D+02 -0.114136D+02  0.394477D+02 -0.225672D+01
      2   0.179245D+02 -0.214408D+02 -0.148094D+01 -0.293720D+02 -0.224813D+02
      3   0.268623D+02 -0.329210D+02  0.128945D+02 -0.100757D+02  0.247380D+02
      4  -0.611329D+02  0.653657D+02  0.715996D+02  0.141371D+02 -0.309532D+02
      5  -0.246760D+02  0.187457D+02  0.263820D+02  0.134959D+02  0.539336D+01
      6  -0.383686D+02  0.176193D+02 -0.133324D+02  0.799095D+01 -0.161296D+02
               161           162           163           164           165 
      1  -0.124839D+02 -0.310440D+02 -0.934405D+02 -0.851024D+02 -0.282593D+01
      2  -0.147212D+02 -0.452340D+01  0.626087D+02  0.982245D+02  0.419095D+01
      3   0.272051D+02  0.355674D+02  0.308318D+02 -0.131221D+02 -0.136502D+01
      4  -0.286529D+02 -0.171726D+01  0.609487D+02 -0.147076D+02 -0.145657D+02
      5   0.150092D+02  0.138304D+02 -0.554078D+02 -0.624185D+02 -0.164633D+01
      6   0.243361D+02  0.448832D+01 -0.920970D+01  0.278244D+02  0.306307D+01
               166           167           168           169           170 
      1   0.827007D+02  0.466926D+02  0.137795D+01  0.249284D+02  0.116344D+02
      2  -0.621107D+02 -0.957435D+02  0.413043D+01 -0.204134D+02 -0.203918D+02
      3  -0.205901D+02  0.490508D+02 -0.550838D+01 -0.451502D+01  0.875747D+01
      4  -0.190594D+02  0.884948D+02 -0.103754D+02 -0.154220D+01  0.280929D+02
      5   0.351796D+02  0.779638D+02 -0.499558D+01  0.561337D+01  0.283847D+02
      6  -0.188068D+02 -0.109975D+02 -0.251881D+01 -0.739816D+00 -0.293096D+01
               171           172           173           174           175 
      1  -0.747792D+01  0.138639D+03  0.254259D+02 -0.567994D+01 -0.501381D+02
      2  -0.286668D+01 -0.877079D+02 -0.332343D+02  0.101763D+02  0.437753D+02
      3   0.103446D+02 -0.509309D+02  0.780845D+01 -0.449635D+01  0.636283D+01
      4   0.187217D+01 -0.837232D+02 -0.953474D+01 -0.637254D+01  0.208889D+01
      5   0.314281D+01  0.481802D+02  0.468174D+02 -0.709567D+01 -0.558161D+02
      6  -0.377568D+01 -0.166110D+02 -0.733129D+01 -0.390860D+01  0.239221D+01
               176           177           178           179           180 
      1  -0.103788D+03 -0.573519D+01  0.308205D+01 -0.250731D+02 -0.165485D+01
      2   0.167037D+03  0.109576D+02  0.720729D+01  0.427946D+02  0.160822D+01
      3  -0.632495D+02 -0.522242D+01 -0.102893D+02 -0.177215D+02  0.466302D-01
      4  -0.103612D+03 -0.699340D+01 -0.837026D+01 -0.233370D+02 -0.190021D+02
      5  -0.111051D+03 -0.456419D+00  0.197515D+01 -0.415771D+02 -0.106236D+02
      6   0.446587D+02  0.319158D+01 -0.138656D+02  0.268581D+02  0.481575D+00
               181           182           183           184           185 
      1  -0.792824D+02  0.576355D+01  0.388056D+01 -0.145760D+03  0.328910D+02
      2   0.433175D+02 -0.135259D+02 -0.704401D+01  0.102272D+03 -0.230971D+02
      3   0.359649D+02  0.776232D+01  0.316345D+01  0.434882D+02 -0.979390D+01
      4   0.557413D+02  0.208513D+02  0.136922D+02  0.462807D+02 -0.274134D+02
      5  -0.293648D+02 -0.110914D+02  0.122185D+02 -0.378177D+02 -0.222078D+02
      6   0.168712D+02 -0.542847D+01 -0.178649D+01  0.250174D+02 -0.103801D+02
               186           187           188           189           190 
      1  -0.162874D+02 -0.735095D+02  0.271020D+02  0.176696D+02 -0.385597D+01
      2   0.655865D+01  0.513287D+02 -0.265182D+02 -0.144614D+02 -0.344690D+00
      3   0.972875D+01  0.221808D+02 -0.583777D+00 -0.320812D+01  0.420066D+01
      4   0.304832D+02  0.158226D+02  0.137537D+02 -0.194945D+02 -0.241006D+01
      5  -0.780703D+01  0.297326D+02 -0.530363D+02 -0.142853D+02 -0.116272D+02
      6   0.985886D+01 -0.515205D+01  0.181880D+02 -0.202289D+01  0.196073D+01
               191           192           193           194           195 
      1   0.479477D+02 -0.224945D+02  0.163003D+03 -0.102599D+03 -0.202490D+00
      2  -0.402753D+02  0.121609D+02 -0.100519D+03  0.719648D+02  0.103773D+02
      3  -0.767243D+01  0.103336D+02 -0.624841D+02  0.306342D+02 -0.101748D+02
      4   0.153339D+02  0.583480D+01 -0.791046D+02  0.564822D+02 -0.264268D+02
      5  -0.335232D+01  0.100891D+02 -0.138284D+02  0.446292D+02 -0.485667D+01
      6  -0.168141D+01  0.172008D+01 -0.170470D+02  0.602706D+01 -0.167062D+01
               196           197           198           199           200 
      1   0.955769D+01 -0.328273D+02  0.240079D+02  0.392270D+02  0.509390D+02
      2  -0.131057D+02  0.202340D+02 -0.244114D+02 -0.403247D+02 -0.503262D+02
      3   0.354798D+01  0.125933D+02  0.403486D+00  0.109773D+01 -0.612770D+00
      4  -0.453990D+02  0.668531D+01 -0.933398D+01 -0.306470D+02 -0.115623D+02
      5   0.505381D+02  0.248690D+02  0.225943D+02  0.250742D+02  0.351164D+02
      6  -0.157782D+02  0.118272D+01 -0.116357D+02  0.773146D+01 -0.180619D+02
               201           202           203           204           205 
      1  -0.458264D+01 -0.873968D+00  0.292653D+02  0.919288D+01  0.165067D+01
      2  -0.856822D+00  0.242942D+02 -0.410962D+02 -0.172545D+02  0.113126D+02
      3   0.543947D+01 -0.234202D+02  0.118309D+02  0.806165D+01 -0.129633D+02
      4   0.121151D+02 -0.133926D+03 -0.288626D+02  0.300416D+02 -0.541577D+02
      5   0.481812D+01  0.483335D+02  0.103295D+02 -0.107687D+02  0.220515D+02
      6  -0.581903D+01  0.253687D+02 -0.747631D+01 -0.551032D+01  0.101893D+02
               206           207           208           209           210 
      1   0.790097D+01  0.369263D+01  0.934115D+01  0.116050D+03  0.165617D+02
      2  -0.759961D+01 -0.124795D+02 -0.131222D+02 -0.146915D+03 -0.142130D+02
      3  -0.301363D+00  0.878684D+01  0.378108D+01  0.308654D+02 -0.234869D+01
      4  -0.611191D+01  0.898431D+01 -0.488478D+02  0.306378D+02  0.211827D+02
      5   0.544270D+00 -0.497676D+00  0.487653D+02  0.562994D+02  0.761891D+01
      6  -0.604079D+00 -0.710309D+01  0.443355D+01 -0.394029D+02 -0.210233D+02
               211           212           213           214           215 
      1   0.142786D+02  0.786371D+02  0.419973D+01 -0.670991D+01  0.228411D+02
      2  -0.283635D+02 -0.120460D+03 -0.880340D+01  0.203922D+02 -0.426009D+02
      3   0.140849D+02  0.418232D+02  0.460368D+01 -0.136823D+02  0.197598D+02
      4   0.370968D+01  0.549291D+02  0.233848D+02 -0.324962D+01  0.257708D+02
      5   0.270427D+02  0.808266D+02  0.281683D+01  0.368331D+02  0.122094D+02
      6   0.146165D+02 -0.447468D+02 -0.425974D+01 -0.386947D+02  0.478095D+01
               216           217           218           219           220 
      1  -0.332670D+01  0.167208D+02 -0.855646D+02 -0.133339D+02 -0.230179D+02
      2  -0.250902D+01 -0.292265D+02  0.114663D+03  0.177347D+02  0.263218D+02
      3   0.583572D+01  0.125057D+02 -0.290987D+02 -0.440080D+01 -0.330394D+01
      4  -0.269540D+02  0.117298D+03 -0.436394D+02 -0.428748D+02 -0.119601D+02
      5  -0.954490D+01 -0.582802D+02 -0.624211D+02 -0.265023D+01  0.142575D+02
      6   0.963522D+01 -0.223328D+02  0.345988D+02  0.199628D+02  0.266338D+01
               221           222           223           224           225 
      1  -0.173363D+02  0.167392D+02 -0.123772D+02  0.816039D+01 -0.258294D+02
      2   0.298688D+02 -0.236716D+02  0.535049D+01 -0.350687D+02  0.156413D+02
      3  -0.125325D+02  0.693246D+01  0.702666D+01  0.269083D+02  0.101881D+02
      4  -0.284658D+02  0.537790D+01 -0.107194D+02 -0.764035D+00  0.337346D+01
      5  -0.709409D+01 -0.476573D+01  0.467046D+01 -0.155691D+02 -0.112029D+02
      6  -0.203800D+02  0.265863D+00  0.219882D+02  0.458662D+02  0.168278D+02
               226           227           228           229           230 
      1  -0.689138D+02  0.968248D+01  0.124231D+02  0.116852D+02 -0.453736D+02
      2   0.655456D+02 -0.105551D+02 -0.143438D+02 -0.351101D+02  0.629545D+02
      3   0.336817D+01  0.872642D+00  0.192076D+01  0.234250D+02 -0.175809D+02
      4  -0.231138D+02  0.382696D+02  0.248620D+02  0.138498D+03  0.273347D+02
      5   0.182701D+02  0.113689D+02 -0.631998D+01 -0.596935D+02 -0.193602D+02
      6   0.154457D+02 -0.522611D+01 -0.477374D+01 -0.289996D+02  0.111379D+02
               231           232           233           234           235 
      1  -0.603670D+01  0.110573D+02 -0.528089D+01 -0.189774D+02  0.520759D+02
      2   0.241284D+02 -0.177457D+02  0.832935D+01  0.172201D+02 -0.448348D+02
      3  -0.180917D+02  0.668836D+01 -0.304846D+01  0.175729D+01 -0.724109D+01
      4  -0.326348D+02  0.488619D+02  0.829357D+01 -0.136021D+02 -0.322520D+02
      5   0.114855D+02 -0.239053D+02 -0.460741D+01  0.835037D+01 -0.453444D+01
      6   0.941769D+01 -0.126137D+02  0.162626D+02  0.851082D+01 -0.185272D+01
               236           237           238           239           240 
      1  -0.160332D+01 -0.145641D+02 -0.451959D+01  0.394969D+01  0.150026D+02
      2  -0.132719D+02  0.720772D+01  0.802458D+01  0.316585D+01 -0.195165D+02
      3   0.148753D+02  0.735634D+01 -0.350499D+01 -0.711554D+01  0.451389D+01
      4  -0.644612D+02 -0.137391D+02  0.304213D+02  0.167660D+02 -0.918993D+01
      5  -0.100795D+02 -0.181086D+01  0.327801D+01 -0.833854D+01 -0.147364D+01
      6   0.955888D+01  0.160706D+01 -0.787302D+01 -0.233943D+02  0.259613D+01
               241           242           243           244           245 
      1  -0.102070D+02  0.191495D+02 -0.995731D+01 -0.617865D+01 -0.276269D+02
      2   0.720250D+01 -0.255313D+02  0.915550D+01 -0.252280D+01  0.369627D+02
      3   0.300450D+01  0.638183D+01  0.801811D+00  0.870146D+01 -0.933588D+01
      4   0.257182D+02  0.112249D+02  0.148218D+02  0.305859D+02  0.390418D+02
      5   0.963362D+01  0.117081D+02  0.945771D+01 -0.157641D+02  0.712743D+01
      6   0.810030D+01  0.220960D+02  0.119783D+02 -0.224651D+00  0.219025D+01
               246           247           248           249           250 
      1  -0.650885D+01  0.544701D+02 -0.186328D+02 -0.222930D+02  0.402742D+02
      2   0.112205D+02 -0.574129D+02  0.246320D+01  0.169343D+02 -0.392367D+02
      3  -0.471165D+01  0.294285D+01  0.161696D+02  0.535877D+01 -0.103755D+01
      4   0.504532D+01 -0.167592D+02 -0.477612D+02 -0.269914D+02 -0.183380D+02
      5   0.191157D+02 -0.443730D+02 -0.151246D+02  0.826679D+01  0.149459D+02
      6   0.101072D+02 -0.233474D+02 -0.349294D+01  0.671461D+01  0.175920D+02
               251           252           253           254           255 
      1   0.343604D+01 -0.662315D+01  0.755658D+01  0.206606D+02 -0.419533D+01
      2  -0.137758D+02  0.230081D+01 -0.148343D+02  0.505791D+01  0.523532D+01
      3   0.103398D+02  0.432234D+01  0.727771D+01 -0.257185D+02 -0.104000D+01
      4  -0.428028D+02  0.126743D+02  0.782656D+02  0.238266D+02 -0.899569D+01
      5   0.468648D+01 -0.516009D+01 -0.180138D+02  0.316718D+01 -0.307075D+01
      6   0.172630D+02 -0.960701D+01 -0.454970D+01  0.727394D+01  0.503279D+01
               256           257           258           259           260 
      1  -0.307817D+02  0.835051D+01  0.100542D+02 -0.592885D+01 -0.550122D+01
      2   0.370814D+02  0.238324D+01  0.142955D+01  0.150863D+02  0.696714D+01
      3  -0.629965D+01 -0.107337D+02 -0.114837D+02 -0.915742D+01 -0.146591D+01
      4  -0.390376D+01  0.494469D+02  0.170017D+02 -0.213959D+02  0.140070D+02
      5   0.717036D+01  0.147914D+02  0.122409D+02  0.165118D+02  0.912911D+01
      6   0.137519D+02 -0.316929D+01 -0.275411D+01  0.187729D+02  0.151369D+01
               261           262           263           264           265 
      1   0.628167D+01 -0.351708D+02 -0.122059D+02  0.115011D+02 -0.114329D+02
      2  -0.856752D+01  0.454241D+02 -0.516522D+01 -0.227284D+02  0.822648D+01
      3   0.228585D+01 -0.102533D+02  0.173711D+02  0.112273D+02  0.320642D+01
      4   0.151406D+02 -0.796620D+02 -0.304307D+02  0.555153D+01  0.129293D+02
      5  -0.414592D+01  0.397446D+02 -0.203579D+02 -0.159761D+02  0.152343D+02
      6  -0.116787D+02  0.455876D+01  0.297867D+01 -0.329741D+01 -0.199095D+01
               266           267           268           269           270 
      1   0.917731D+01  0.729487D+01 -0.236246D+00  0.938036D+01 -0.108481D+02
      2  -0.172920D+02 -0.722502D+01 -0.208328D+01 -0.514178D+01 -0.925060D+01
      3   0.811471D+01 -0.698502D-01  0.231952D+01 -0.423858D+01  0.200987D+02
      4  -0.103008D+02 -0.623127D+00  0.161845D+02  0.811249D+01 -0.939813D+01
      5   0.354264D+01 -0.950054D+01  0.116347D+01 -0.733008D+01  0.188188D+01
      6  -0.722843D+01  0.331217D+00 -0.262056D+01  0.919498D+00 -0.863194D+01
               271           272           273           274           275 
      1  -0.920675D+01  0.209645D+02 -0.160910D+01  0.153707D+02 -0.364488D+02
      2   0.295006D+02 -0.495456D+02 -0.357476D+00 -0.360522D+02  0.775309D+02
      3  -0.202939D+02  0.285811D+02  0.196658D+01  0.206814D+02 -0.410821D+02
      4  -0.319469D+02  0.419374D+02  0.170111D+01  0.307214D+02 -0.472922D+02
      5  -0.249025D+01  0.383394D+01  0.323662D+01  0.549128D+01 -0.764655D+01
      6  -0.347113D+01  0.543394D+01 -0.711990D+01 -0.371312D+01  0.240130D+01
               276           277           278           279           280 
      1  -0.401626D+01  0.208470D+01 -0.825520D+01 -0.215829D+01 -0.185373D+01
      2   0.616315D+01 -0.616894D+01  0.134620D+02  0.254987D+01  0.532030D+01
      3  -0.214689D+01  0.408423D+01 -0.520676D+01 -0.391582D+00 -0.346657D+01
      4  -0.525964D+01 -0.384652D+01 -0.603353D+00 -0.632431D+01  0.765815D+01
      5  -0.253800D+01  0.274047D+01 -0.372943D+01 -0.275204D+00  0.127141D+01
      6   0.540368D+01 -0.487377D+01  0.696041D+01  0.146945D+01  0.854617D+01
               281           282           283           284           285 
      1  -0.798161D+01 -0.350863D+01 -0.653090D+01 -0.581405D+02 -0.288510D+02
      2   0.111931D+02  0.504831D+01  0.953624D+01  0.917095D+02  0.386638D+02
      3  -0.321153D+01 -0.153967D+01 -0.300534D+01 -0.335690D+02 -0.981281D+01
      4   0.135794D+02  0.972131D+01  0.771485D+01  0.244947D+02  0.971663D+01
      5   0.384822D+01  0.269164D+01  0.179149D+01 -0.108541D+01 -0.440006D-01
      6   0.885326D+01  0.103119D+02  0.530503D+01  0.477402D+02  0.321825D+02
               286           287           288           289           290 
      1  -0.525635D+01 -0.306223D+02 -0.207799D+02  0.102348D+03  0.245125D+02
      2   0.114771D+02  0.436568D+02  0.253320D+02 -0.637784D+02 -0.130903D+02
      3  -0.622076D+01 -0.130345D+02 -0.455211D+01 -0.385696D+02 -0.114222D+02
      4   0.103704D+02  0.180329D+02  0.116077D+02  0.618177D+02  0.241064D+02
      5   0.180026D+01  0.177278D+01  0.323439D+01  0.549717D+02  0.135787D+02
      6   0.443914D+01  0.339028D+02  0.224526D+02  0.164301D+02  0.664281D+01
               291           292           293           294           295 
      1   0.367580D+02  0.658985D+01  0.142844D+02  0.455438D+01  0.362269D+02
      2  -0.277202D+02 -0.174207D+01 -0.540792D+01 -0.290004D+01 -0.215966D+02
      3  -0.903782D+01 -0.484778D+01 -0.887649D+01 -0.165434D+01 -0.146303D+02
      4   0.238441D+02  0.237349D+02  0.127431D+02  0.112894D+02  0.268360D+02
      5   0.321016D+02  0.117945D+02  0.614459D+01  0.775461D+01  0.234276D+02
      6   0.989819D+01  0.919533D+01  0.415240D+01  0.630457D+01  0.730352D+01
               296           297           298           299           300 
      1   0.783342D+01  0.149805D+02  0.222175D+00  0.532695D+01 -0.934682D+00
      2  -0.462047D+01 -0.111974D+02  0.509022D+01  0.135698D+01  0.147498D+01
      3  -0.321295D+01 -0.378313D+01 -0.531239D+01 -0.668393D+01 -0.540299D+00
      4   0.922461D+01  0.117842D+02  0.193057D+02  0.245110D+02  0.144583D+02
      5   0.912766D+01  0.153215D+02  0.898665D+01  0.124669D+02  0.101493D+02
      6   0.501236D+01  0.508388D+01  0.101665D+02  0.129460D+02  0.865448D+01
               301           302           303           304           305 
      1  -0.559691D+01 -0.337170D+02 -0.164907D+02 -0.532503D+01 -0.937103D+01
      2   0.173175D+02  0.529374D+02  0.198745D+02  0.769335D+01  0.210865D+02
      3  -0.117206D+02 -0.192204D+02 -0.338380D+01 -0.236831D+01 -0.117155D+02
      4   0.331631D+02  0.663102D+02  0.322683D+02  0.212626D+02  0.390535D+02
      5   0.116923D+02  0.250295D+02  0.168396D+02  0.114727D+02  0.137978D+02
      6   0.187759D+02  0.493844D+02  0.303957D+02  0.135938D+02  0.260317D+02
               306           307           308           309           310 
      1  -0.837936D+01  0.747549D+02 -0.421331D+02 -0.370502D+01 -0.415943D+02
      2   0.874703D+01 -0.279600D+02  0.131142D+02  0.213500D+01  0.733970D+01
      3  -0.367680D+00 -0.467949D+02  0.290188D+02  0.157002D+01  0.342546D+02
      4   0.201235D+02 -0.733931D+02  0.499883D+02  0.175011D+01  0.637630D+02
      5   0.126300D+02 -0.100011D+02  0.226574D+01  0.839513D+01  0.982187D+01
      6   0.206894D+02 -0.110595D+01  0.172587D+01 -0.379179D+01 -0.130387D+01
               311           312           313           314           315 
      1   0.291315D+02  0.440282D+01 -0.509468D+01  0.192735D+01  0.155983D+01
      2   0.139090D+01 -0.199595D+01  0.802124D+00  0.176196D+01 -0.384112D+00
      3  -0.305224D+02 -0.240687D+01  0.429255D+01 -0.368932D+01 -0.117572D+01
      4  -0.587119D+02 -0.548718D+01  0.104053D+02 -0.114952D+02 -0.316838D+01
      5  -0.120821D+02 -0.778018D+01  0.571178D+01  0.380280D+00 -0.797672D+00
      6   0.236443D+01  0.460395D+01 -0.240305D+01  0.873677D+00  0.183452D+01
               316           317           318           319           320 
      1   0.157844D+03  0.854023D+01  0.298318D+02  0.186329D+02  0.109612D+02
      2  -0.973224D+02 -0.547545D+01 -0.211753D+02 -0.128457D+02 -0.702794D+01
      3  -0.605221D+02 -0.306477D+01 -0.865650D+01 -0.578718D+01 -0.393325D+01
      4   0.985140D+00  0.750574D+01 -0.121393D+01  0.182062D+02  0.541099D+01
      5   0.411698D+02  0.172355D+01  0.200834D+02  0.993921D+01  0.801136D+01
      6  -0.627479D+01  0.882012D+00 -0.228407D+01  0.174992D+01 -0.439792D+00
               321           322           323           324           325 
      1   0.626466D+01  0.422971D+02  0.426965D+01  0.115388D+02  0.175002D+02
      2  -0.520100D+01 -0.285319D+02 -0.182891D+01 -0.843659D+01  0.125608D+02
      3  -0.106366D+01 -0.137653D+02 -0.244074D+01 -0.310217D+01 -0.300611D+02
      4   0.386626D+01  0.335954D+01  0.277723D+01  0.318273D+00 -0.674591D+02
      5   0.481731D+01  0.151229D+02 -0.273516D+01  0.730223D+01 -0.149393D+02
      6   0.111002D+01 -0.983463D+00  0.202510D+01  0.639901D+00  0.109717D+02
               326           327           328           329           330 
      1  -0.491475D+01 -0.273440D+01  0.383722D+01 -0.844205D+01 -0.222592D+01
      2  -0.226818D+02 -0.261029D+01 -0.267963D+02  0.400154D+02  0.753710D+01
      3   0.275966D+02  0.534470D+01  0.229591D+02 -0.315733D+02 -0.531118D+01
      4   0.599773D+02  0.158509D+02  0.506593D+02 -0.644655D+02 -0.166269D+02
      5   0.142939D+02  0.992906D+01  0.140620D+02 -0.128226D+02 -0.824686D+01
      6  -0.120438D+02 -0.867594D+01 -0.146963D+02  0.156989D+02  0.110646D+02
               331           332           333           334           335 
      1   0.594633D+00 -0.251544D+00  0.415925D-02 -0.764072D+01 -0.155890D+02
      2  -0.951965D+01  0.558294D+01  0.285567D+01  0.111992D+02  0.206796D+02
      3   0.892502D+01 -0.533140D+01 -0.285983D+01 -0.355852D+01 -0.509057D+01
      4   0.157009D+02 -0.159272D+02 -0.625669D+01  0.443425D+01  0.157544D+02
      5   0.450814D+01 -0.666309D+01 -0.430977D+01 -0.985584D+00  0.251137D+01
      6  -0.209425D+01  0.849704D+01  0.410215D+01  0.427828D+01  0.632886D+01
               336           337           338           339           340 
      1  -0.376667D+01 -0.357986D+01 -0.839525D+02 -0.238136D+02 -0.276273D+00
      2   0.437278D+01  0.358898D+01  0.125053D+03  0.302472D+02  0.256951D+01
      3  -0.606108D+00 -0.911937D-02 -0.411005D+02 -0.643357D+01 -0.229324D+01
      4   0.331881D+01  0.674460D+01 -0.128466D+02 -0.360241D+01  0.215635D+00
      5   0.227567D+01  0.101385D+01 -0.586554D+01 -0.325819D+01  0.308958D+01
      6   0.339387D+01  0.277605D+01  0.467976D+02  0.223758D+02 -0.309174D+01
               341           342           343           344           345 
      1  -0.283240D+02 -0.951441D+01 -0.336682D+01 -0.599403D+01 -0.102665D+01
      2   0.416397D+02  0.118937D+02  0.120051D+02  0.174287D+02  0.323488D+01
      3  -0.133157D+02 -0.237932D+01 -0.863828D+01 -0.114346D+02 -0.220823D+01
      4  -0.709240D+01 -0.148162D+01  0.142500D+02  0.250465D+02  0.590033D+01
      5  -0.108651D+01 -0.275112D+00  0.220222D+01  0.469486D+01  0.369348D+01
      6   0.166454D+02  0.104288D+02  0.458821D+01  0.399492D+01  0.278979D+01
               346           347           348           349           350 
      1  -0.139539D+02 -0.563238D+02 -0.150455D+02 -0.339204D+01 -0.199356D+02
      2   0.270972D+02  0.966569D+02  0.222627D+02  0.566936D+01  0.304734D+02
      3  -0.131433D+02 -0.403331D+02 -0.721717D+01 -0.227733D+01 -0.105378D+02
      4   0.223954D+02  0.512529D+02  0.140493D+02  0.671427D+01  0.152196D+02
      5   0.603871D+01  0.133247D+02  0.629173D+01  0.191727D+01  0.485328D+01
      6   0.926672D+01  0.279950D+02  0.165376D+02  0.427058D+01  0.140701D+02
               351           352           353           354           355 
      1  -0.828211D+01  0.495947D+02  0.183431D+02 -0.965450D+00  0.960492D+01
      2   0.108163D+02 -0.133888D+02  0.113257D+01  0.641680D+00  0.531429D+01
      3  -0.253421D+01 -0.362059D+02 -0.194757D+02  0.323770D+00 -0.149192D+02
      4   0.541521D+01  0.710165D+02  0.407123D+02 -0.181077D+01  0.311198D+02
      5   0.294985D+01 -0.306249D+01 -0.950846D+00  0.747837D+01  0.262800D+01
      6   0.834771D+01 -0.578326D+01 -0.356863D+01  0.523746D+01  0.108321D+01
               356           357           358           359           360 
      1   0.575793D+01  0.905301D+00 -0.311199D+01 -0.858401D+00  0.206050D+01
      2   0.707589D+01 -0.183169D+00  0.446903D+01  0.223938D+01 -0.828344D+00
      3  -0.128338D+02 -0.722132D+00 -0.135704D+01 -0.138098D+01 -0.123215D+01
      4   0.255811D+02  0.236271D+01  0.148970D+01  0.437938D+01  0.281071D+01
      5   0.149291D+01  0.241883D+01  0.248763D+01  0.197388D+01  0.130997D+01
      6  -0.121674D+01  0.187377D+01  0.699468D+00  0.141746D+01  0.102917D+01
               361           362           363           364           365 
      1   0.128192D+03 -0.156920D+02 -0.249879D+02 -0.103286D+02  0.201595D+02
      2  -0.771302D+02  0.934934D+01  0.197097D+02  0.611912D+01 -0.131931D+02
      3  -0.510615D+02  0.634264D+01  0.527819D+01  0.420949D+01 -0.696641D+01
      4  -0.129223D+02  0.324898D+02  0.593190D+01  0.657437D+02 -0.211248D+02
      5  -0.492466D+02  0.873319D+01  0.421185D+02  0.572061D+01 -0.248956D+02
      6   0.172266D+01 -0.884486D+01 -0.106467D+01 -0.225727D+02  0.665462D+01
               366           367           368           369           370 
      1  -0.432621D+00  0.123393D+01  0.988201D+00  0.370742D+01 -0.350521D+01
      2  -0.564753D+01  0.215105D+02 -0.519408D+01 -0.454891D+02  0.187550D+01
      3   0.608015D+01 -0.227444D+02  0.420588D+01  0.417817D+02  0.162971D+01
      4  -0.258595D+02  0.980395D+01 -0.129921D+02 -0.275729D+01 -0.165926D+01
      5  -0.126143D+02  0.621023D+02 -0.125582D+02 -0.516490D+02  0.402323D+01
      6   0.235201D+02 -0.133741D+01  0.169251D+02 -0.397093D+01  0.679543D+00
               371           372           373           374           375 
      1  -0.958676D+00  0.110673D+01 -0.369524D+01 -0.595873D+01 -0.110229D+01
      2  -0.159643D+01 -0.100857D+01  0.210366D+01 -0.291289D+01 -0.337039D+01
      3   0.255511D+01 -0.981620D-01  0.159158D+01  0.887161D+01  0.447268D+01
      4  -0.112990D+01  0.105097D+01 -0.550949D+00 -0.423550D+01 -0.451279D+00
      5   0.315114D+01 -0.980278D+00  0.297896D+01  0.345270D+01 -0.271908D+01
      6  -0.813669D+00 -0.566361D-01 -0.366462D-01  0.652903D+00  0.151246D+01
               376           377           378 
      1  -0.155237D+01 -0.530318D+00 -0.352936D+01
      2   0.161173D+01 -0.214001D+01 -0.191256D+01
      3  -0.593602D-01  0.267033D+01  0.544192D+01
      4   0.992513D+00 -0.491506D+00 -0.121628D+01
      5   0.213980D+01  0.996006D+00 -0.454328D+00
      6  -0.910461D+00  0.163409D+01  0.145751D+01
 Leave Link  716 at Sat Jul 24 22:51:27 2021, MaxMem= 16106127360 cpu:               1.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.444506D+03 -0.183212D+02  0.459861D+02
      2  -0.183212D+02  0.409006D+03  0.438384D+02
      3   0.459861D+02  0.438384D+02  0.240155D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.198660D+03 -0.371749D+02  0.146679D+03
      2  -0.115181D+03 -0.751272D+02 -0.486377D+02
      3   0.135900D+03  0.645411D+03 -0.230206D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.665429D+03  0.469521D+02 -0.315191D+03
      2   0.229027D+03  0.132158D+02 -0.183335D+02
      3   0.436402D+03 -0.601679D+02  0.333525D+03
      4   0.111535D+03 -0.361104D+03 -0.323562D+03
      5  -0.130029D+03 -0.196958D+03  0.600319D+02
      6  -0.303341D+03  0.102035D+03 -0.175969D+03
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.138105D+01  0.164114D+01 -0.326328D+00  0.710257D+00 -0.965506D+00
      2   0.164114D+01 -0.204563D+01  0.582129D+00 -0.965506D+00  0.210713D+01
      3  -0.326328D+00  0.582129D+00 -0.119122D+01 -0.447937D+00  0.106195D+00
                 6             7             8             9            10 
      1  -0.447937D+00 -0.336487D+00  0.181197D+00 -0.778012D+00 -0.417191D+01
      2   0.106195D+00  0.181197D+00 -0.211344D+00  0.960025D+00  0.192482D+00
      3   0.127367D+01 -0.778012D+00  0.960025D+00 -0.310135D-01 -0.235544D+01
                11            12            13            14            15 
      1   0.192482D+00 -0.235544D+01 -0.242619D+01 -0.444982D+00 -0.150807D+01
      2  -0.648046D+00 -0.176564D+01 -0.444982D+00  0.210195D+01 -0.181653D+01
      3  -0.176564D+01 -0.709948D+01 -0.150807D+01 -0.181653D+01 -0.184111D+01
                16            17            18            19            20 
      1  -0.326364D+01 -0.191471D+00 -0.544167D+01  0.523204D+01 -0.996149D+00
      2  -0.191471D+00 -0.430002D+01  0.671772D+00 -0.996149D+00  0.335437D+01
      3  -0.544167D+01  0.671772D+00 -0.636698D+01  0.280994D+01  0.134943D+00
                21            22            23            24            25 
      1   0.280994D+01  0.252515D+01  0.189713D+01  0.218561D+01  0.347513D+01
      2   0.134943D+00  0.189713D+01  0.383535D+00  0.586347D+00 -0.133882D+01
      3  -0.159091D+00  0.218561D+01  0.586347D+00  0.331804D+00  0.379190D+01
                26            27            28            29            30 
      1  -0.133882D+01  0.379190D+01  0.769139D+00  0.287490D+00  0.138995D+01
      2   0.925545D+00 -0.170467D+01  0.287490D+00  0.549596D-01  0.636717D-01
      3  -0.170467D+01  0.105534D+02  0.138995D+01  0.636717D-01  0.178447D+01
                31            32            33            34            35 
      1   0.300212D+00  0.813330D+00  0.114698D+01  0.139043D+01  0.114148D+01
      2   0.813330D+00  0.213279D+01  0.288566D+01  0.114148D+01  0.196552D+01
      3   0.114698D+01  0.288566D+01  0.558969D+01  0.195630D+01  0.309300D+01
                36            37            38            39            40 
      1   0.195630D+01  0.460428D+01  0.122439D+01  0.170967D+01  0.732425D+01
      2   0.309300D+01  0.122439D+01  0.192472D+01  0.128299D+01 -0.147386D+01
      3   0.618371D+01  0.170967D+01  0.128299D+01  0.232945D+01  0.195527D+01
                41            42            43            44            45 
      1  -0.147386D+01  0.195527D+01  0.436690D+01 -0.379218D+01  0.516704D+01
      2   0.240801D+01 -0.294123D+00 -0.379218D+01  0.369464D+01 -0.291573D+01
      3  -0.294123D+00 -0.167748D+01  0.516704D+01 -0.291573D+01  0.940223D+01
                46            47            48            49            50 
      1   0.796657D+01 -0.139268D+01  0.606362D+01 -0.744977D+00  0.862828D+00
      2  -0.139268D+01  0.713063D+00 -0.131508D+01  0.862828D+00 -0.273554D+00
      3   0.606362D+01 -0.131508D+01  0.574877D+01  0.115077D+00  0.685870D+00
                51            52            53            54            55 
      1   0.115077D+00  0.536044D+01 -0.314215D+00  0.469049D+01 -0.733766D+00
      2   0.685870D+00 -0.314215D+00  0.368840D+00 -0.353437D+00  0.915741D+00
      3   0.939078D+00  0.469049D+01 -0.353437D+00  0.476870D+01 -0.323479D+01
                56            57            58            59            60 
      1   0.915741D+00 -0.323479D+01 -0.499196D+01  0.789631D+00 -0.499108D+01
      2  -0.172095D+01  0.195378D+01  0.789631D+00 -0.413715D+01  0.338604D+01
      3   0.195378D+01 -0.180900D+01 -0.499108D+01  0.338604D+01 -0.582783D+01
                61            62            63            64            65 
      1  -0.958046D+01  0.184266D+01 -0.551838D+01  0.507506D+01 -0.426755D+01
      2   0.184266D+01  0.790479D+00 -0.277876D-01 -0.426755D+01  0.427712D+01
      3  -0.551838D+01 -0.277876D-01 -0.548755D+01  0.103832D+01 -0.111473D+01
                66            67            68            69            70 
      1   0.103832D+01 -0.463725D+01  0.453390D+01 -0.446338D+00  0.455453D+00
      2  -0.111473D+01  0.453390D+01 -0.545730D+01  0.679989D+00  0.313842D-01
      3   0.712029D+00 -0.446338D+00  0.679989D+00 -0.521990D+00  0.513914D+00
                71            72            73            74            75 
      1   0.313842D-01  0.513914D+00  0.123601D+02 -0.314398D+01  0.111303D+02
      2  -0.649608D+00 -0.592872D+00 -0.314398D+01  0.201075D+01 -0.153382D+01
      3  -0.592872D+00  0.106680D+00  0.111303D+02 -0.153382D+01  0.107608D+02
                76            77            78            79            80 
      1  -0.165033D+02  0.363591D+01 -0.181968D+02 -0.211070D+01 -0.520801D-01
      2   0.363591D+01 -0.676036D+01 -0.303968D+00 -0.520801D-01 -0.655242D+00
      3  -0.181968D+02 -0.303968D+00 -0.206242D+02 -0.194836D+01 -0.218334D+01
                81            82            83            84            85 
      1  -0.194836D+01  0.174865D+02 -0.103219D+02  0.950470D+01  0.767388D+01
      2  -0.218334D+01 -0.103219D+02  0.169671D+02 -0.112616D+01 -0.188558D+01
      3  -0.532009D+01  0.950470D+01 -0.112616D+01  0.112723D+02  0.577159D+01
                86            87            88            89            90 
      1  -0.188558D+01  0.577159D+01  0.104227D+02 -0.618184D+01  0.128536D+02
      2  -0.819876D+00  0.206548D+01 -0.618184D+01  0.151030D+02 -0.452482D+01
      3   0.206548D+01  0.660749D+01  0.128536D+02 -0.452482D+01  0.136600D+02
                91            92            93            94            95 
      1  -0.219135D+02  0.487886D+01 -0.182231D+02  0.984383D+01 -0.289436D+00
      2   0.487886D+01 -0.571683D+01  0.137164D+01 -0.289436D+00  0.424790D+01
      3  -0.182231D+02  0.137164D+01 -0.180919D+02  0.126236D+02  0.840795D+00
                96            97            98            99           100 
      1   0.126236D+02 -0.376582D+01  0.296356D+01 -0.331498D+01  0.107636D+02
      2   0.840795D+00  0.296356D+01 -0.895211D+00  0.274607D+01  0.170188D+01
      3   0.146474D+02 -0.331498D+01  0.274607D+01 -0.267549D+01  0.948626D+01
               101           102           103           104           105 
      1   0.170188D+01  0.948626D+01  0.261227D+02 -0.221453D+02  0.152540D+02
      2  -0.504905D+01 -0.897328D-01 -0.221453D+02  0.398947D+02 -0.907877D+01
      3  -0.897328D-01  0.847131D+01  0.152540D+02 -0.907877D+01  0.983817D+01
               106           107           108           109           110 
      1   0.187106D+02 -0.100829D+02  0.132978D+02 -0.734052D+01 -0.502293D+01
      2  -0.100829D+02  0.165487D+02 -0.398792D+01 -0.502293D+01  0.781630D+01
      3   0.132978D+02 -0.398792D+01  0.117912D+02 -0.809604D+01  0.769589D+00
               111           112           113           114           115 
      1  -0.809604D+01 -0.288924D+02  0.258530D+02 -0.176325D+02 -0.153766D+02
      2   0.769589D+00  0.258530D+02 -0.461826D+02  0.118850D+02  0.926694D+01
      3  -0.547494D+01 -0.176325D+02  0.118850D+02 -0.115547D+02 -0.115545D+02
               116           117           118           119           120 
      1   0.926694D+01 -0.115545D+02 -0.218744D+02  0.187874D+02 -0.117453D+02
      2  -0.133635D+02  0.317880D+01  0.187874D+02 -0.315910D+02  0.818476D+01
      3   0.317880D+01 -0.103291D+02 -0.117453D+02  0.818476D+01 -0.842891D+01
               121           122           123           124           125 
      1   0.629976D+01 -0.122655D+02  0.391934D+01 -0.909348D+01  0.903927D+01
      2  -0.122655D+02  0.146012D+02 -0.468795D+01  0.903927D+01 -0.112044D+02
      3   0.391934D+01 -0.468795D+01  0.328502D+01 -0.672012D+01  0.182927D+01
               126           127           128           129           130 
      1  -0.672012D+01  0.201028D+02 -0.100858D+02  0.667834D+01  0.776942D+00
      2   0.182927D+01 -0.100858D+02  0.664698D+02 -0.561946D+01  0.145759D+02
      3  -0.113045D+02  0.667834D+01 -0.561946D+01  0.252159D+01 -0.869710D+00
               131           132           133           134           135 
      1   0.145759D+02 -0.869710D+00  0.617145D+01  0.130985D+01  0.158765D+01
      2   0.178666D+02  0.414343D+01  0.130985D+01  0.244253D+02 -0.376071D+00
      3   0.414343D+01 -0.111387D+00  0.158765D+01 -0.376071D+00  0.612948D+00
               136           137           138           139           140 
      1  -0.202510D+02  0.736842D+01 -0.581791D+01 -0.731810D+00 -0.872999D+01
      2   0.736842D+01 -0.663800D+02  0.654919D+01 -0.872999D+01 -0.146273D+02
      3  -0.581791D+01  0.654919D+01 -0.173567D+01 -0.760910D+00 -0.187795D+01
               141           142           143           144           145 
      1  -0.760910D+00 -0.472455D+01  0.137855D+01 -0.445887D+01 -0.107714D+02
      2  -0.187795D+01  0.137855D+01 -0.231560D+02  0.145346D+01  0.353212D+00
      3  -0.569993D+00 -0.445887D+01  0.145346D+01 -0.232095D+01 -0.474596D+01
               146           147           148           149           150 
      1   0.353212D+00 -0.474596D+01  0.104730D+02  0.597473D+00  0.908093D+01
      2  -0.116057D+02 -0.122326D+00  0.597473D+00  0.358993D+02 -0.198403D+01
      3  -0.122326D+00 -0.442797D+01  0.908093D+01 -0.198403D+01  0.688201D+01
               151           152           153           154           155 
      1   0.277562D+01  0.227035D+01 -0.319157D+01  0.166151D+02 -0.403503D+01
      2   0.227035D+01  0.526373D+01  0.348577D+00 -0.403503D+01  0.138842D+02
      3  -0.319157D+01  0.348577D+00 -0.442200D+01  0.127893D+02 -0.221928D+01
               156           157           158           159           160 
      1   0.127893D+02 -0.124671D+02 -0.111283D+01 -0.590873D+01  0.415027D+01
      2  -0.221928D+01 -0.111283D+01 -0.207790D+02  0.259514D+01 -0.189227D+00
      3   0.990579D+01 -0.590873D+01  0.259514D+01 -0.400783D+01  0.312729D+01
               161           162           163           164           165 
      1  -0.189227D+00  0.312729D+01  0.349613D+02  0.187901D+02 -0.177447D+01
      2   0.246721D+01 -0.537713D+01  0.187901D+02  0.301594D+02 -0.292359D+00
      3  -0.537713D+01 -0.410626D+00 -0.177447D+01 -0.292359D+00  0.833255D+00
               166           167           168           169           170 
      1  -0.165179D+02 -0.154705D+02 -0.386701D+00 -0.418664D+01 -0.453239D+01
      2  -0.154705D+02 -0.491419D+02 -0.211711D+01 -0.453239D+01 -0.145898D+02
      3  -0.386701D+00 -0.211711D+01 -0.293026D+00  0.651664D+00 -0.100390D+01
               171           172           173           174           175 
      1   0.651664D+00 -0.316407D+02 -0.173101D+02  0.182661D+01  0.212612D+02
      2  -0.100390D+01 -0.173101D+02 -0.273598D+02  0.126527D+01  0.211544D+02
      3  -0.415931D+00  0.182661D+01  0.126527D+01  0.379951D+00 -0.284671D+00
               176           177           178           179           180 
      1   0.211544D+02 -0.284671D+00  0.383713D+01  0.462389D+01 -0.188047D+01
      2   0.594261D+02  0.124118D+01  0.462389D+01  0.130792D+02  0.224808D+01
      3   0.124118D+01  0.326467D+00 -0.188047D+01  0.224808D+01  0.109766D+01
               181           182           183           184           185 
      1   0.145875D+02  0.878381D+01 -0.297476D+00  0.222798D+02  0.270902D+01
      2   0.878381D+01  0.104956D+02 -0.177727D+01  0.270902D+01  0.261570D+02
      3  -0.297476D+00 -0.177727D+01 -0.106344D+01  0.286108D+01 -0.390869D+01
               186           187           188           189           190 
      1   0.286108D+01  0.969678D+01  0.119391D+01 -0.294285D+01 -0.425648D+01
      2  -0.390869D+01  0.119391D+01  0.580202D+01  0.329757D+01 -0.435922D+01
      3   0.157845D+01 -0.294285D+01  0.329757D+01  0.584831D+00  0.174928D+01
               191           192           193           194           195 
      1  -0.435922D+01  0.174928D+01 -0.227664D+02  0.319704D+01 -0.233144D-01
      2   0.395085D+01 -0.152661D+01  0.319704D+01 -0.378832D+02  0.473503D+01
      3  -0.152661D+01 -0.801368D+00 -0.233144D-01  0.473503D+01 -0.546600D+00
               196           197           198           199           200 
      1  -0.438994D+01  0.170367D+01 -0.467397D+01 -0.162428D+02 -0.121896D+02
      2   0.170367D+01 -0.648837D+01 -0.879949D+00 -0.121896D+02 -0.911470D+01
      3  -0.467397D+01 -0.879949D+00 -0.217751D+01 -0.103743D+00  0.917748D+00
               201           202           203           204           205 
      1  -0.103743D+00 -0.408856D+02 -0.785350D+01  0.938193D+01 -0.181966D+02
      2   0.917748D+00 -0.785350D+01 -0.108439D+02  0.562992D-01 -0.248399D+01
      3  -0.766648D-02  0.938193D+01  0.562992D-01 -0.219842D+01  0.312288D+01
               206           207           208           209           210 
      1  -0.248399D+01  0.312288D+01 -0.275192D+02 -0.149561D+02  0.409270D+01
      2  -0.379721D+01 -0.105178D+01 -0.149561D+02 -0.351028D+02 -0.176484D+01
      3  -0.105178D+01 -0.174003D+01  0.409270D+01 -0.176484D+01 -0.340669D+01
               211           212           213           214           215 
      1  -0.133627D+02 -0.165627D+02  0.237771D+01 -0.173630D+01 -0.252646D+01
      2  -0.165627D+02 -0.359559D+02 -0.148970D+01 -0.252646D+01 -0.918789D+01
      3   0.237771D+01 -0.148970D+01 -0.734291D+00 -0.485400D+01  0.102205D+01
               216           217           218           219           220 
      1  -0.485400D+01  0.421693D+02  0.138273D+02 -0.841840D+01 -0.645882D+01
      2   0.102205D+01  0.138273D+02  0.291634D+02  0.122576D+01  0.285275D+00
      3   0.232956D+01 -0.841840D+01  0.122576D+01  0.371354D+01  0.192983D+01
               221           222           223           224           225 
      1   0.285275D+00  0.192983D+01 -0.462483D+01 -0.427893D+00  0.359038D+01
      2   0.913082D+01 -0.142310D+01 -0.427893D+00 -0.879793D+00  0.539814D+01
      3  -0.142310D+01  0.221125D-01  0.359038D+01  0.539814D+01  0.183676D+01
               226           227           228           229           230 
      1  -0.915823D+01  0.322959D+01  0.455616D+01  0.458523D+02  0.106854D+02
      2   0.322959D+01  0.164800D+01 -0.340571D+00  0.106854D+02  0.131665D+02
      3   0.455616D+01 -0.340571D+00 -0.153811D+01 -0.104488D+02 -0.401412D-01
               231           232           233           234           235 
      1  -0.104488D+02  0.165454D+02  0.329799D+01 -0.453843D+01 -0.463911D+01
      2  -0.401412D-01  0.329799D+01  0.285882D+01  0.140286D+01 -0.581430D+01
      3   0.235031D+01 -0.453843D+01  0.140286D+01  0.257586D+01 -0.856595D+00
               236           237           238           239           240 
      1  -0.581430D+01 -0.856595D+00  0.355400D+01  0.263938D+01 -0.254968D+00
      2  -0.601757D+01  0.562416D+00  0.263938D+01  0.352322D+01 -0.196932D+01
      3   0.562416D+00  0.410494D+00 -0.254968D+00 -0.196932D+01  0.358543D+00
               241           242           243           244           245 
      1   0.407790D+01  0.249042D+01  0.150823D+01  0.125542D+02  0.348680D+01
      2   0.249042D+01 -0.338457D+00  0.264884D+01  0.348680D+01  0.758326D+01
      3   0.150823D+01  0.264884D+01  0.214712D+01 -0.168368D+01  0.790171D+00
               246           247           248           249           250 
      1  -0.168368D+01  0.626218D+01 -0.378213D+01 -0.570599D+01  0.122017D+01
      2   0.790171D+00 -0.378213D+01 -0.289358D+01 -0.745057D+00 -0.400385D+01
      3   0.269510D+01 -0.570599D+01 -0.745057D+00  0.136945D+01  0.241544D+01
               251           252           253           254           255 
      1  -0.400385D+01  0.241544D+01  0.194064D+02  0.315133D+01 -0.478451D+01
      2  -0.460935D+01  0.179936D+01  0.315133D+01  0.421324D+01  0.400339D+00
      3   0.179936D+01 -0.863344D+00 -0.478451D+01  0.400339D+00  0.114574D+01
               256           257           258           259           260 
      1  -0.519076D+01  0.189157D+01  0.141430D+01 -0.566290D+01 -0.121505D+01
      2   0.189157D+01  0.286098D+01  0.864488D-01 -0.121505D+01  0.970994D+00
      3   0.141430D+01  0.864488D-01  0.112360D+01  0.414072D+01  0.812505D+00
               261           262           263           264           265 
      1   0.414072D+01 -0.242430D+02  0.410562D+00  0.801482D+01 -0.115100D+01
      2   0.812505D+00  0.410562D+00 -0.362626D+01 -0.171962D+01 -0.701200D+00
      3  -0.210078D+01  0.801482D+01 -0.171962D+01 -0.343813D+01  0.154007D+01
               266           267           268           269           270 
      1  -0.701200D+00  0.154007D+01  0.290176D+01  0.128629D+01 -0.168050D+01
      2  -0.313028D+01  0.732137D+00  0.128629D+01  0.348122D+01 -0.230619D+01
      3   0.732137D+00 -0.110653D+01 -0.168050D+01 -0.230619D+01 -0.869000D+00
               271           272           273           274           275 
      1   0.328517D+01 -0.419447D+01  0.559282D-01 -0.297529D+01  0.451345D+01
      2  -0.419447D+01  0.621558D+01 -0.106436D+00  0.451345D+01 -0.882471D+01
      3   0.559282D-01 -0.106436D+00  0.815493D+00  0.801193D+00 -0.100432D+01
               276           277           278           279           280 
      1   0.801193D+00  0.856024D+00  0.126138D+00  0.752175D+00 -0.850725D+00
      2  -0.100432D+01  0.126138D+00 -0.137490D+01 -0.595167D+00 -0.598374D+00
      3  -0.345632D+00  0.752175D+00 -0.595167D+00 -0.718981D-01 -0.108817D+01
               281           282           283           284           285 
      1  -0.598374D+00 -0.108817D+01 -0.217929D+00 -0.118480D+01 -0.350658D+00
      2  -0.180649D+01 -0.665172D+00 -0.118480D+01 -0.992193D+01 -0.465042D+01
      3  -0.665172D+00 -0.135272D+01 -0.350658D+00 -0.465042D+01 -0.314020D+01
               286           287           288           289           290 
      1  -0.974064D+00 -0.124203D+01 -0.617686D+00 -0.119613D+02 -0.316343D+01
      2  -0.124203D+01 -0.506026D+01 -0.343522D+01 -0.316343D+01 -0.125437D+01
      3  -0.617686D+00 -0.343522D+01 -0.204742D+01 -0.489924D+01 -0.112180D+01
               291           292           293           294           295 
      1  -0.489924D+01 -0.162152D+01 -0.205214D+01 -0.109411D+01 -0.467753D+01
      2  -0.112180D+01 -0.205214D+01 -0.471371D-01 -0.816117D+00 -0.135214D+01
      3  -0.290045D+01 -0.109411D+01 -0.816117D+00 -0.902454D+00 -0.198631D+01
               296           297           298           299           300 
      1  -0.135214D+01 -0.198631D+01 -0.138865D+01 -0.230237D+01 -0.101973D+01
      2  -0.837897D+00 -0.105039D+01 -0.230237D+01 -0.148153D+01 -0.165224D+01
      3  -0.105039D+01 -0.114105D+01 -0.101973D+01 -0.165224D+01 -0.100475D+01
               301           302           303           304           305 
      1  -0.223249D+01 -0.353829D+01 -0.190393D+01 -0.111414D+01 -0.261573D+01
      2  -0.353829D+01 -0.962982D+01 -0.466218D+01 -0.261573D+01 -0.470668D+01
      3  -0.190393D+01 -0.466218D+01 -0.303237D+01 -0.133441D+01 -0.247379D+01
               306           307           308           309           310 
      1  -0.133441D+01 -0.882654D+01  0.573019D+01  0.365918D+00  0.628976D+01
      2  -0.247379D+01  0.573019D+01 -0.327872D+01 -0.429429D-01 -0.498881D+01
      3  -0.213997D+01  0.365918D+00 -0.429429D-01 -0.641911D+00 -0.616566D+00
               311           312           313           314           315 
      1  -0.498881D+01 -0.616566D+00  0.696939D+00 -0.755604D+00 -0.449954D+00
      2   0.551884D+01  0.662645D+00 -0.755604D+00  0.124767D+01 -0.151449D+00
      3   0.662645D+00  0.557873D+00 -0.449954D+00 -0.151449D+00  0.167910D+00
               316           317           318           319           320 
      1  -0.151026D+02 -0.765614D+00 -0.317092D+01 -0.191161D+01 -0.140386D+01
      2  -0.765614D+00 -0.227646D+00 -0.178415D+00 -0.140386D+01 -0.129840D+01
      3  -0.317092D+01 -0.178415D+00 -0.148252D+01 -0.800007D+00 -0.483938D+00
               321           322           323           324           325 
      1  -0.800007D+00 -0.414361D+01 -0.558900D+00 -0.106543D+01 -0.657350D+01
      2  -0.483938D+00 -0.558900D+00 -0.197683D-02  0.326642D+00  0.470420D+01
      3  -0.341782D+00 -0.106543D+01  0.326642D+00 -0.593916D+00  0.148813D+01
               326           327           328           329           330 
      1   0.470420D+01  0.148813D+01  0.349375D+01 -0.519446D+01 -0.149227D+01
      2  -0.546916D+01 -0.129467D+01 -0.519446D+01  0.629367D+01  0.157999D+01
      3  -0.129467D+01 -0.937449D+00 -0.149227D+01  0.157999D+01  0.109886D+01
               331           332           333           334           335 
      1   0.104613D+01 -0.185577D+01 -0.895297D-01  0.114493D+01  0.178957D+01
      2  -0.185577D+01  0.940703D+00  0.990168D+00  0.178957D+01  0.226163D+01
      3  -0.895297D-01  0.990168D+00  0.281115D+00  0.226797D+00  0.420828D+00
               336           337           338           339           340 
      1   0.226797D+00  0.517212D+00  0.364612D+00  0.227961D+00 -0.328554D+00
      2   0.420828D+00  0.364612D+00  0.134186D+02  0.374080D+01 -0.197092D-01
      3   0.262689D+00  0.227961D+00  0.374080D+01  0.179653D+01 -0.258226D+00
               341           342           343           344           345 
      1  -0.197092D-01 -0.258226D+00  0.135064D+01  0.191596D+01  0.428136D+00
      2   0.458471D+01  0.121130D+01  0.191596D+01  0.261643D+01  0.524795D+00
      3   0.121130D+01  0.888629D+00  0.428136D+00  0.524795D+00  0.366280D+00
               346           347           348           349           350 
      1   0.149376D+01  0.340368D+01  0.105597D+01  0.658202D+00  0.890136D+00
      2   0.340368D+01  0.110840D+02  0.293080D+01  0.890136D+00  0.366166D+01
      3   0.105597D+01  0.293080D+01  0.155685D+01  0.272231D+00  0.132981D+01
               351           352           353           354           355 
      1   0.272231D+00  0.100427D+02  0.467057D+01 -0.405979D+00  0.319179D+01
      2   0.132981D+01  0.467057D+01  0.299977D+01 -0.152977D+00  0.248719D+01
      3   0.761647D+00 -0.405979D+00 -0.152977D+00  0.782203D+00  0.384500D+00
               356           357           358           359           360 
      1   0.248719D+01  0.384500D+00  0.552190D-01  0.447636D+00  0.114898D+00
      2   0.226951D+01  0.202079D+00  0.447636D+00  0.602363D+00  0.160623D+00
      3   0.202079D+00  0.306818D+00  0.114898D+00  0.160623D+00  0.238719D+00
               361           362           363           364           365 
      1   0.118415D+02 -0.222460D+01 -0.245631D+01  0.126518D+01  0.565194D+01
      2  -0.222460D+01  0.198511D+01  0.238209D+00  0.565194D+01 -0.316743D+01
      3  -0.245631D+01  0.238209D+00  0.235789D+01 -0.187352D+00 -0.248601D+01
               366           367           368           369           370 
      1  -0.187352D+00 -0.438605D+00  0.881060D+00  0.547478D+01 -0.147848D+01
      2  -0.248601D+01  0.881060D+00 -0.116519D+01 -0.146527D+01 -0.696662D+00
      3  -0.121772D+01  0.547478D+01 -0.146527D+01 -0.667065D+01  0.992295D-01
               371           372           373           374           375 
      1  -0.696662D+00  0.992295D-01 -0.824177D+00 -0.496670D+00  0.284378D+00
      2  -0.126826D+01  0.303911D+00 -0.496670D+00 -0.271678D+01  0.120501D-01
      3   0.303911D+00 -0.275743D+00  0.284378D+00  0.120501D-01 -0.124458D+01
               376           377           378 
      1  -0.145157D+00 -0.634148D+00  0.268872D+00
      2  -0.634148D+00 -0.130922D+01 -0.472034D+00
      3   0.268872D+00 -0.472034D+00 -0.488898D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.774062D+01 -0.121340D+02  0.324433D+01 -0.661196D+01  0.131636D+02
      2   0.713748D+01 -0.899926D+01  0.410184D+01 -0.489744D+01  0.774969D+01
      3  -0.404102D+01  0.124184D+01  0.711840D-01  0.660230D+01 -0.648701D+01
                 6             7             8             9            10 
      1  -0.248386D+01  0.112251D+01  0.178104D+01  0.460486D+01 -0.160959D+02
      2  -0.103236D+01  0.179838D+01 -0.661544D+00  0.349268D+01  0.863708D+01
      3   0.230427D+01 -0.267479D+01 -0.773881D+00 -0.386141D+01  0.266213D+02
                11            12            13            14            15 
      1   0.616171D+01 -0.333521D+02 -0.124176D+02  0.161058D+02 -0.157387D+02
      2   0.642401D+01 -0.429282D+01  0.387212D+01  0.774174D+01  0.324006D+01
      3  -0.147252D+02  0.367038D+02  0.218316D+02 -0.211662D+02  0.153064D+02
                16            17            18            19            20 
      1  -0.174979D+02 -0.517334D+01 -0.587668D+01  0.138360D+02  0.495255D+01
      2  -0.115309D+02  0.814373D+01  0.266640D+01 -0.625154D+00 -0.248950D+01
      3   0.259972D+02 -0.856146D+01  0.243702D+02 -0.247064D+02  0.488078D+01
                21            22            23            24            25 
      1   0.171447D+02  0.137335D+02  0.928774D+01  0.414453D+00  0.778292D+01
      2   0.434631D+01 -0.173886D+01 -0.708813D+01 -0.471319D+01 -0.634883D+01
      3  -0.290526D+02 -0.108464D+02 -0.250081D+02 -0.284752D+01 -0.229264D+02
                26            27            28            29            30 
      1  -0.102803D+01  0.230437D+02  0.263093D+01 -0.164921D+01  0.205222D+01
      2   0.569171D+01  0.634210D+01  0.221058D+00 -0.143794D+01 -0.334784D+00
      3   0.142115D+02 -0.336038D+02 -0.331691D+01  0.171718D+01 -0.418361D+01
                31            32            33            34            35 
      1   0.382453D+01  0.134888D+02  0.156595D+02  0.715550D+01  0.152361D+02
      2  -0.397238D+00  0.218595D+01  0.681347D+01 -0.350807D+01  0.145168D+01
      3  -0.156275D+01 -0.803187D+01 -0.129602D+02 -0.314932D+01 -0.972737D+01
                36            37            38            39            40 
      1   0.176643D+02  0.156438D+02  0.538334D+01  0.529889D+01  0.899958D+01
      2   0.233937D+01 -0.674960D+01 -0.174554D+01 -0.680683D+00 -0.129410D+02
      3  -0.108220D+02 -0.267313D+02 -0.149167D+02 -0.112489D+02 -0.312545D+02
                41            42            43            44            45 
      1  -0.847703D+01  0.510714D+01  0.887183D+01 -0.142227D+01  0.290584D+02
      2  -0.307684D+00 -0.181740D+01  0.141646D+01 -0.141367D+01  0.108740D+02
      3   0.130962D+02 -0.145910D+02 -0.224263D+02  0.316386D+02 -0.263650D+02
                46            47            48            49            50 
      1   0.910195D+01  0.813324D+00  0.846731D+01  0.232740D+01  0.760301D+00
      2  -0.975508D+01  0.374583D+00 -0.106138D+01  0.376616D+01 -0.133259D+01
      3  -0.168103D+02 -0.143737D+00 -0.122249D+02  0.391042D+00 -0.114072D+01
                51            52            53            54            55 
      1   0.419264D+01  0.104867D+02  0.235526D+01  0.958932D+01 -0.235470D+02
      2   0.310477D+01 -0.744982D+01  0.470129D+00 -0.238916D+01 -0.121294D+02
      3  -0.260663D+01 -0.154818D+02 -0.270142D+01 -0.133827D+02  0.163688D+02
                56            57            58            59            60 
      1   0.175596D+02 -0.162226D+02 -0.211037D+02  0.323368D+01 -0.213562D+02
      2   0.158580D+02  0.336749D+01  0.206360D+01  0.104720D+02 -0.978081D+00
      3  -0.252334D+02  0.176546D+02  0.300179D+02 -0.647181D+01  0.209109D+02
                61            62            63            64            65 
      1  -0.274101D+02  0.260924D+02 -0.288416D+02 -0.530913D+01  0.492279D+01
      2  -0.483173D+01  0.537204D+01 -0.171995D+02 -0.771378D+01  0.559836D+01
      3   0.574084D+02 -0.473044D+02  0.422269D+02 -0.858720D+01  0.231618D+01
                66            67            68            69            70 
      1   0.414445D+00  0.713471D+01 -0.851033D+01 -0.320999D+01  0.709006D+00
      2   0.355363D+00  0.895265D+01 -0.872283D+01 -0.226141D+01 -0.130597D+01
      3  -0.374999D-02  0.846122D+01 -0.310627D+01  0.927537D+00 -0.895898D+00
                71            72            73            74            75 
      1  -0.272377D+01 -0.137582D+01  0.512565D+02 -0.253147D+02  0.512707D+02
      2  -0.710094D+00 -0.121359D+01  0.191395D+02 -0.756420D+01  0.160357D+02
      3   0.330495D+01  0.304800D+00 -0.891259D+02  0.508046D+02 -0.801327D+02
                76            77            78            79            80 
      1  -0.787238D+02 -0.311803D+02 -0.964708D+02 -0.180231D+01 -0.233321D+02
      2  -0.215589D+01 -0.241536D+02 -0.899249D+01 -0.303957D+01 -0.139199D+02
      3   0.131480D+03 -0.224209D+01  0.157155D+03  0.204405D+02  0.362075D+02
                81            82            83            84            85 
      1  -0.163585D+02  0.447616D+02 -0.393825D+01  0.470943D+02  0.181065D+02
      2  -0.112289D+02  0.194153D+02  0.297651D+00  0.142636D+02  0.607496D+01
      3   0.309708D+02 -0.148742D+03  0.968816D+02 -0.854285D+02 -0.590122D+02
                86            87            88            89            90 
      1   0.253203D+02  0.244947D+02  0.632579D+02 -0.460065D+01  0.721285D+02
      2   0.166091D+02  0.840628D+01 -0.296294D+01  0.827279D+01  0.482260D+01
      3  -0.957624D+01 -0.570782D+02 -0.930796D+02  0.538755D+02 -0.119221D+03
                91            92            93            94            95 
      1  -0.483642D+02 -0.125182D+02 -0.555660D+02  0.376863D+02  0.426140D+01
      2   0.243930D+02 -0.181917D+02  0.159367D+02  0.262623D+00  0.277887D+01
      3   0.947332D+02 -0.325967D+02  0.882252D+02 -0.640273D+02  0.451200D+01
                96            97            98            99           100 
      1   0.426044D+02  0.284715D+01 -0.111085D+02  0.120801D+01  0.148701D+02
      2  -0.552636D+01  0.479838D+01 -0.110241D+02 -0.328594D+01 -0.652828D+01
      3  -0.737134D+02 -0.147185D+01  0.232075D+02  0.331751D+01 -0.337718D+02
               101           102           103           104           105 
      1   0.861320D+01  0.188777D+02  0.630500D+02 -0.376713D+02  0.332408D+02
      2   0.124500D+02  0.334423D-01  0.102568D+02 -0.628939D+00  0.279654D+01
      3  -0.417399D+02 -0.407112D+02 -0.169343D+03  0.208546D+03 -0.802928D+02
               106           107           108           109           110 
      1   0.354098D+02 -0.131514D+01  0.285097D+02 -0.263339D+02 -0.190271D+02
      2  -0.165223D+02  0.185011D+01 -0.168427D+02  0.164969D+01 -0.195400D+02
      3  -0.852593D+02  0.121394D+03 -0.567816D+02  0.608634D+02  0.542103D+02
               111           112           113           114           115 
      1  -0.248546D+02 -0.942351D+02  0.677189D+02 -0.550251D+02 -0.494306D+02
      2  -0.621145D+01 -0.189270D+02  0.234765D+02 -0.669512D+01 -0.259269D+02
      3   0.573885D+02  0.240741D+03 -0.325203D+03  0.132208D+03  0.119224D+03
               116           117           118           119           120 
      1   0.313814D+02 -0.368392D+02 -0.626382D+02  0.450120D+02 -0.408264D+02
      2   0.117227D+02 -0.905649D+01 -0.122339D+02  0.118415D+02 -0.485685D+01
      3  -0.106047D+03  0.724613D+02  0.191682D+03 -0.213425D+03  0.107321D+03
               121           122           123           124           125 
      1   0.271639D+02 -0.340423D+02  0.156335D+02 -0.368782D+02  0.169828D+02
      2   0.120486D+02 -0.173964D+02  0.501626D+01 -0.178892D+02  0.126040D+02
      3  -0.585275D+02  0.131008D+03 -0.324132D+02  0.692900D+02 -0.856558D+02
               126           127           128           129           130 
      1  -0.508219D+02  0.442399D+02 -0.716041D+02  0.159510D+02 -0.502296D+01
      2  -0.110976D+02  0.998786D+01 -0.357979D+02  0.363873D+01 -0.103544D+02
      3   0.553495D+02 -0.611400D+02  0.355552D+03 -0.271948D+02  0.800999D+02
               131           132           133           134           135 
      1  -0.170109D+02 -0.225766D+00  0.580823D+01 -0.648341D+01 -0.537232D+01
      2  -0.174475D+02 -0.188637D+01 -0.194801D+02 -0.150568D+02 -0.722309D+01
      3   0.769684D+02  0.197819D+02  0.283130D+02  0.136615D+03  0.320720D+01
               136           137           138           139           140 
      1  -0.473024D+02  0.923451D+02 -0.186622D+02  0.690228D+01  0.183496D+02
      2  -0.110161D+02  0.686415D+02 -0.538594D+01  0.219794D+02  0.210402D+02
      3   0.668882D+02 -0.472719D+03  0.429627D+02 -0.663072D+02 -0.952243D+02
               141           142           143           144           145 
      1   0.238702D+00 -0.117526D+02  0.572722D+02 -0.270878D+01 -0.173282D+02
      2   0.672333D+01 -0.272563D+00  0.294318D+02  0.109353D+01 -0.104534D+02
      3  -0.161649D+02 -0.725860D+01 -0.159684D+03  0.548909D+01  0.510233D+02
               146           147           148           149           150 
      1   0.375197D+01 -0.149157D+02  0.331464D+02 -0.671877D+02  0.249834D+02
      2   0.112099D+02  0.344094D+01 -0.865226D+01 -0.483717D+02 -0.436643D+01
      3  -0.736228D+02  0.202771D+02 -0.183800D+02  0.255645D+03 -0.334267D+02
               151           152           153           154           155 
      1  -0.133141D+02  0.115716D+02 -0.107055D+02  0.553843D+02 -0.196976D+02
      2   0.120900D+02 -0.771488D+01  0.820185D+01  0.205791D+02 -0.207352D+02
      3   0.119735D+01  0.440539D+02  0.150439D+02 -0.120407D+03  0.111155D+03
               156           157           158           159           160 
      1   0.398646D+02 -0.213238D+02  0.310250D+02 -0.191074D+02  0.989673D+01
      2   0.698241D+01 -0.119480D+01  0.102805D+02  0.402375D+00 -0.853727D+01
      3  -0.758576D+02  0.404415D+02 -0.130514D+03  0.345516D+02 -0.453981D+02
               161           162           163           164           165 
      1  -0.977593D+01  0.976479D+01 -0.109235D+02 -0.411827D+02  0.124999D+01
      2   0.286741D+02  0.985251D+01 -0.117747D+02 -0.129694D+02 -0.176610D+01
      3   0.164987D+02 -0.559965D+02  0.144064D+03  0.162845D+03 -0.136699D+01
               166           167           168           169           170 
      1  -0.252981D+01  0.378222D+02  0.590211D+00 -0.815249D+01  0.374364D+02
      2   0.192205D+02  0.256492D+02  0.251217D+01 -0.185279D+02  0.133632D+02
      3  -0.118040D+03 -0.233037D+03 -0.158094D+02 -0.696900D+01 -0.867865D+02
               171           172           173           174           175 
      1  -0.493495D+01  0.223317D+02  0.409091D+02  0.242204D+01 -0.513150D+00
      2   0.252655D+01  0.423571D+02  0.259940D+02  0.830987D+00 -0.127238D+02
      3  -0.723626D+00 -0.228245D+03 -0.209368D+03  0.311527D+01  0.159774D+03
               176           177           178           179           180 
      1  -0.677709D+02  0.441218D+01  0.105563D+02 -0.952362D+00  0.127832D+01
      2  -0.537433D+02 -0.250027D+01 -0.108014D+02 -0.245237D+02 -0.645143D+01
      3   0.380677D+03  0.668540D+01  0.117016D+02  0.937764D+02  0.327512D+01
               181           182           183           184           185 
      1  -0.187570D+02 -0.232388D+02  0.441556D+00 -0.193844D+01 -0.400254D+02
      2  -0.268168D+02 -0.904453D+01  0.406945D+01 -0.189417D+02 -0.189822D+02
      3   0.131549D+03  0.976984D+02 -0.780477D+01  0.779817D+02  0.193512D+03
               186           187           188           189           190 
      1   0.193518D-01  0.146223D+02 -0.378913D+01 -0.314443D+01  0.100012D+02
      2  -0.419399D+01 -0.245089D+01 -0.410320D+02 -0.919369D+01  0.495844D+01
      3  -0.171660D+02  0.283347D+02  0.514825D+02  0.177792D+02 -0.508713D+02
               191           192           193           194           195 
      1  -0.108637D+02  0.310779D+01 -0.241494D+02  0.484174D+02 -0.729388D+01
      2  -0.712563D+01  0.714427D+01 -0.109747D+02  0.411319D+02 -0.303575D+01
      3   0.361449D+02 -0.107121D+02 -0.447657D+01 -0.285924D+03  0.333204D+02
               196           197           198           199           200 
      1   0.376154D+00  0.340931D+02  0.581755D+01  0.390564D+01  0.163866D+02
      2   0.187623D+02  0.223536D+02  0.108876D+02 -0.695303D+01 -0.560067D+01
      3  -0.696259D+01 -0.411628D+02 -0.152611D+02 -0.464533D+02 -0.379371D+02
               201           202           203           204           205 
      1   0.410756D+00  0.218055D+01  0.120595D+02 -0.385839D+00 -0.806262D+00
      2  -0.724744D+00  0.153211D+02  0.129049D+00 -0.213155D+01 -0.621103D+01
      3  -0.180018D+01 -0.196125D+03 -0.516371D+02  0.436529D+02 -0.884512D+02
               206           207           208           209           210 
      1   0.219636D+02  0.359357D+01  0.558993D+01  0.398211D+02  0.716576D+01
      2  -0.819732D+00  0.309872D+01  0.245696D+02  0.320218D+02  0.324014D+01
      3  -0.509406D+02  0.175731D+02 -0.197831D+03 -0.222584D+03  0.164640D+02
               211           212           213           214           215 
      1  -0.678278D+01  0.370281D+02 -0.355507D+01  0.314747D+02  0.179172D+02
      2   0.126118D+02  0.421768D+02  0.406127D+00  0.111310D+01 -0.364567D+01
      3  -0.114258D+03 -0.252396D+03  0.605435D+01 -0.247797D+02 -0.536285D+02
               216           217           218           219           220 
      1  -0.553253D+01 -0.656281D+01 -0.391618D+02 -0.351311D+01  0.556291D+01
      2   0.186393D+00 -0.366515D+02 -0.164253D+02  0.375086D+01  0.100473D+02
      3  -0.228952D+02  0.290842D+03  0.158981D+03 -0.479840D+02 -0.360013D+02
               221           222           223           224           225 
      1   0.594838D+01 -0.487921D+01 -0.143608D+02 -0.200847D+02 -0.102111D+02
      2  -0.801227D+01 -0.300088D+01 -0.203634D+02 -0.154967D+02 -0.751587D+01
      3   0.548795D+02  0.107526D+02 -0.335948D+02  0.854667D+01  0.430880D+02
               226           227           228           229           230 
      1   0.203421D+01  0.132203D+00 -0.137968D+01  0.503557D+01 -0.260628D+02
      2  -0.399487D+01 -0.177187D+02 -0.304663D+01 -0.329044D+02 -0.241503D+01
      3  -0.430741D+02  0.802500D+02  0.207198D+02  0.313682D+03  0.827340D+02
               231           232           233           234           235 
      1   0.219467D+01 -0.119513D+01  0.226972D-01 -0.395299D+01 -0.380965D+01
      2   0.856324D+01 -0.307873D+02 -0.549444D+01  0.658100D+01  0.109376D+02
      3  -0.731295D+02  0.104039D+03  0.223633D+02 -0.256819D+02 -0.575291D+02
               236           237           238           239           240 
      1   0.296182D+01  0.884774D+00  0.102712D+01  0.206683D+01 -0.275132D+01
      2   0.174662D+02 -0.170673D+01  0.188699D+01 -0.295604D+01  0.793978D+00
      3  -0.846810D+02  0.682977D+01  0.265674D+02  0.475028D+01 -0.302190D+01
               241           242           243           244           245 
      1  -0.876193D+01 -0.954424D+01 -0.835944D+01 -0.388491D+00 -0.653838D+01
      2  -0.192707D+02  0.333212D+01  0.100346D+02 -0.504118D+01 -0.531246D+01
      3   0.276258D+02  0.287543D+02 -0.123365D+01  0.650544D+02  0.318955D+02
               246           247           248           249           250 
      1  -0.746091D+01  0.148211D+02  0.302722D+01 -0.188371D+01 -0.143423D+02
      2   0.704667D+01 -0.166886D+00 -0.190646D+01 -0.402986D+01  0.607037D+01
      3  -0.825084D+01  0.817715D+01 -0.236417D+02 -0.947021D+01 -0.631805D+00
               251           252           253           254           255 
      1   0.674160D+01  0.746213D+01  0.716131D+01  0.212963D+01 -0.503639D+01
      2   0.904444D+01 -0.360511D+01 -0.229635D+02 -0.315926D+01  0.186639D+01
      3  -0.217815D+02  0.172720D+02  0.137143D+03  0.282334D+02 -0.456677D+02
               256           257           258           259           260 
      1   0.424406D+01 -0.114043D+02 -0.542543D+01 -0.100883D+02  0.730304D+01
      2  -0.409309D+01  0.342127D+01  0.879907D+01 -0.117530D+02 -0.312314D+01
      3   0.279345D+01  0.838968D+01 -0.129804D+02 -0.220654D+02 -0.180533D+02
               261           262           263           264           265 
      1   0.933782D+01 -0.917745D+01  0.233809D+01  0.515189D+01 -0.463164D+01
      2   0.645670D+01  0.101301D+02  0.860916D+01 -0.567126D-01  0.502852D+01
      3   0.130457D+02 -0.134098D+03 -0.303324D+02  0.424620D+02 -0.263310D+01
               266           267           268           269           270 
      1  -0.172346D+01  0.264678D-02  0.201779D+01  0.541912D+01  0.400327D+01
      2  -0.860152D+00 -0.356765D+01 -0.121081D+02 -0.446728D+01 -0.318984D+01
      3   0.189679D+02  0.798663D+01 -0.215198D+01 -0.614129D+01  0.881325D+01
               271           272           273           274           275 
      1   0.221489D+01 -0.240005D+01  0.586631D+01  0.325753D+01 -0.352208D+01
      2   0.115039D+01 -0.116130D+01  0.269757D+01 -0.497039D+00  0.118353D+01
      3  -0.172840D+02  0.171186D+02 -0.237918D+01  0.163450D+02 -0.202216D+02
               276           277           278           279           280 
      1  -0.240831D+01  0.233684D+01  0.464276D+00 -0.400530D+00 -0.521998D+01
      2  -0.110715D+01  0.101900D+01  0.202016D+00  0.219806D+00 -0.132889D+01
      3  -0.541404D+01 -0.877828D+01  0.734815D+00 -0.496302D+01  0.615647D+01
               281           282           283           284           285 
      1  -0.118958D+01 -0.679900D+01 -0.102387D+01 -0.114562D+02 -0.126086D+02
      2   0.320640D+00 -0.424431D+00 -0.116212D+01  0.167925D+01  0.190634D+01
      3  -0.303289D+01  0.654599D+01  0.987541D+00 -0.316505D+01 -0.243980D+01
               286           287           288           289           290 
      1  -0.887198D+00 -0.859182D+01 -0.579249D+01 -0.843337D+01  0.544768D+00
      2  -0.188005D+01  0.347854D+00  0.129313D+01  0.174978D+01  0.917363D+00
      3   0.699922D+01  0.277671D+01 -0.266006D+00  0.127643D+02 -0.266240D+01
               291           292           293           294           295 
      1  -0.578731D+01 -0.635562D-01 -0.171797D+01 -0.152137D+01 -0.121718D+01
      2   0.733791D+01  0.367548D+01 -0.112392D+01  0.259219D+01 -0.165627D+01
      3   0.600040D+01 -0.588363D+01  0.768183D+01 -0.632353D+00  0.494858D+01
               296           297           298           299           300 
      1  -0.182906D+01 -0.312953D+00  0.494364D+00 -0.347328D+01 -0.104708D+01
      2   0.116079D+01  0.261334D+01  0.254187D+01  0.177668D+01  0.336509D+01
      3  -0.205504D-02 -0.170985D+01 -0.610931D+01  0.341212D+01 -0.489199D+01
               301           302           303           304           305 
      1  -0.114420D+01  0.313437D+00 -0.519953D+01  0.525344D+00  0.210904D+01
      2   0.132765D+01  0.122915D+02  0.816068D+01  0.228727D+01  0.221939D+01
      3  -0.195551D+01 -0.268711D+02 -0.119989D+02 -0.561123D+01 -0.896594D+01
               306           307           308           309           310 
      1  -0.349509D+01 -0.338735D+01  0.581186D+00  0.265465D+01  0.344575D+01
      2   0.429381D+01 -0.368778D+01 -0.278203D-01  0.438338D+01  0.375604D+01
      3  -0.387020D+01  0.122328D+02 -0.596323D+01  0.552106D+00 -0.971633D+01
               311           312           313           314           315 
      1  -0.452612D+01 -0.346526D+01 -0.227097D+00  0.639015D+00 -0.137464D+00
      2  -0.662090D+01 -0.461480D+01 -0.477687D+00  0.248013D+01 -0.187109D+00
      3   0.218741D+02  0.321965D+01 -0.137531D+01  0.660503D+01 -0.298703D+01
               316           317           318           319           320 
      1   0.134507D+01  0.763084D+00  0.311931D+00  0.975294D+00  0.277010D+01
      2   0.699866D+01  0.243048D+00  0.863730D+01  0.367293D+01  0.402963D+01
      3  -0.154589D+02 -0.330811D+01 -0.420686D+01 -0.765411D+01 -0.116826D+02
               321           322           323           324           325 
      1   0.187112D+00 -0.355792D-02 -0.448288D-01 -0.703195D+00 -0.174722D+01
      2   0.250920D+01 -0.164556D+00 -0.168657D+01  0.153139D+01  0.245348D+01
      3  -0.375202D+01 -0.660136D+01 -0.372022D+01  0.213523D+01 -0.166137D+02
               326           327           328           329           330 
      1   0.232076D+01  0.413521D+01  0.408443D+01 -0.117123D+01 -0.469103D+01
      2   0.375234D+00  0.331101D+01  0.164564D+01  0.862980D-01 -0.299461D+01
      3  -0.103077D+01  0.185362D+01 -0.209461D+00 -0.361169D+01 -0.201992D+01
               331           332           333           334           335 
      1  -0.321239D+01 -0.106773D+01 -0.120333D+01 -0.111969D+01 -0.105971D+01
      2  -0.149041D+01  0.792540D-01 -0.144701D+01 -0.265553D+01 -0.241811D+01
      3  -0.143657D+01 -0.698421D+01  0.427125D+01  0.131216D+02  0.123048D+02
               336           337           338           339           340 
      1  -0.127800D+01 -0.129751D+01 -0.771218D+01 -0.860189D+01  0.299983D+01
      2   0.228477D-01 -0.179399D+01 -0.704615D+01 -0.248387D+01  0.101548D+01
      3   0.103341D+01  0.563368D+01  0.257666D+02  0.913423D+01 -0.211731D+01
               341           342           343           344           345 
      1   0.219368D+01 -0.256283D+01 -0.138459D+01 -0.934361D+00 -0.152183D+01
      2  -0.765624D+00 -0.108477D+00  0.914632D+00 -0.480664D-01  0.542912D+00
      3   0.731681D+01 -0.817753D+00  0.383578D+00  0.254701D+01  0.193786D+01
               346           347           348           349           350 
      1  -0.289430D+01 -0.727536D+01 -0.823188D+01 -0.547828D+00 -0.130394D+01
      2  -0.692245D-01  0.361385D+01  0.280547D+01 -0.370279D+00  0.518942D+00
      3   0.485343D+01 -0.126884D+01 -0.382093D-02  0.284330D+01 -0.319203D+01
               351           352           353           354           355 
      1  -0.263249D+01 -0.171274D+00 -0.322281D+00 -0.311745D+01 -0.254831D+01
      2   0.499375D+00 -0.132589D+01 -0.557488D+00  0.460480D+01  0.253924D+01
      3  -0.299847D-01  0.291657D+02  0.767998D+01 -0.168257D+01  0.546919D+01
               356           357           358           359           360 
      1  -0.128178D+01 -0.122339D+01  0.106370D+01  0.134299D+00 -0.635161D+00
      2   0.113145D+01  0.131426D+01 -0.133995D+01 -0.906378D+00  0.643900D+00
      3   0.270495D+01  0.202377D+01 -0.428011D+01  0.711100D+00 -0.221663D+00
               361           362           363           364           365 
      1   0.338089D+01 -0.519900D+01 -0.168922D+01 -0.764763D+00  0.989783D+01
      2   0.552410D+01  0.158320D+01  0.151149D+02 -0.266542D+01 -0.544544D+01
      3   0.858397D+01 -0.320950D+02  0.100491D+01  0.965842D+01  0.344851D+02
               366           367           368           369           370 
      1  -0.559602D+01 -0.839941D+01  0.136223D+02  0.849347D+01  0.762289D-01
      2  -0.515490D+01 -0.193705D+01 -0.591679D+01 -0.117100D+02 -0.204523D+01
      3   0.998794D+00  0.833817D+01  0.132669D+02  0.192331D+02  0.864859D+00
               371           372           373           374           375 
      1   0.304274D+01 -0.453401D+00  0.900887D-02  0.574266D+01 -0.719397D+00
      2  -0.201197D+01  0.164029D+00 -0.275886D+01 -0.429694D+01  0.218700D+00
      3  -0.266937D+00  0.174446D+01  0.648790D+01  0.122720D+02 -0.403250D-01
               376           377           378 
      1   0.180819D+01  0.595436D+01 -0.728593D+00
      2  -0.143838D+01 -0.125033D+01 -0.606401D+00
      3  -0.871870D+00  0.447259D+01  0.146759D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.373773D+01 -0.450399D+01  0.360760D+01  0.130280D+01  0.100447D+00
      2  -0.175610D+01  0.209624D+01  0.312831D+01  0.206507D+01 -0.174776D+01
      3  -0.198162D+01  0.240775D+01 -0.673592D+01 -0.336787D+01  0.164731D+01
      4   0.465471D+00 -0.969362D+00  0.610810D+00 -0.557620D-01  0.579983D+00
      5  -0.808392D+01  0.771705D+01  0.262243D+01  0.748556D+01 -0.900656D+01
      6   0.391959D+01 -0.575770D+01 -0.194808D+00 -0.302310D+01  0.703000D+01
                 6             7             8             9            10 
      1  -0.388995D+01  0.281185D+01 -0.489083D+01  0.120894D+01 -0.130257D+02
      2  -0.484551D+01  0.148638D+01 -0.116716D+01 -0.198595D+01  0.154635D+02
      3   0.873546D+01 -0.429823D+01  0.605799D+01  0.777013D+00 -0.243778D+01
      4   0.504626D+00  0.171460D+01 -0.854739D-01  0.490068D+00  0.230929D+02
      5  -0.442190D+01  0.115940D+01 -0.113872D+01 -0.424559D+01 -0.275493D+02
      6   0.290260D+01 -0.137892D+00  0.218512D+01  0.398725D+01  0.142238D+02
                11            12            13            14            15 
      1   0.143735D+02  0.109294D+02 -0.141470D+02  0.868966D+01 -0.850133D+01
      2   0.926524D+00  0.335434D+02  0.180902D+02 -0.505189D+01  0.157441D+02
      3  -0.153001D+02 -0.444728D+02 -0.394321D+01 -0.363777D+01 -0.724281D+01
      4   0.379855D+00  0.859189D+01  0.926063D+01  0.167968D+02  0.889841D+01
      5   0.844861D+01  0.323688D+01 -0.149530D+02  0.127122D+01  0.389870D+00
      6  -0.698709D+01  0.157913D+02  0.140600D+02  0.517281D+01  0.133140D+02
                16            17            18            19            20 
      1  -0.125676D+02  0.959000D+01 -0.467322D+01  0.207151D+02 -0.195710D+02
      2   0.354375D+02 -0.943367D+01  0.278189D+02 -0.169167D+02  0.102868D+02
      3  -0.228698D+02 -0.156331D+00 -0.231456D+02 -0.379833D+01  0.928415D+01
      4   0.165327D+02  0.554011D+00  0.274743D+02 -0.281617D+02  0.792108D+01
      5  -0.138059D+02  0.180783D+02 -0.259248D+02  0.253427D+02 -0.227627D+02
      6   0.261941D+02 -0.123919D+02  0.220768D+02 -0.224712D+02  0.178335D+02
                21            22            23            24            25 
      1   0.163907D+02 -0.180515D+01  0.204129D+02  0.124867D+02  0.477553D+01
      2   0.432839D+01 -0.161334D+02 -0.141357D+02 -0.850605D+01 -0.211247D+02
      3  -0.207191D+02  0.179385D+02 -0.627720D+01 -0.398067D+01  0.163492D+02
      4  -0.193014D+02  0.139471D+02 -0.358317D+01  0.169339D+01 -0.178344D+02
      5   0.172400D+01  0.122963D+02  0.128451D+02  0.179322D+02  0.221866D+02
      6  -0.185633D+01  0.811547D+01 -0.121140D+02 -0.359941D+01 -0.218502D+02
                26            27            28            29            30 
      1  -0.132913D+01 -0.233161D+02 -0.180740D+01  0.249689D+00 -0.321981D+01
      2   0.121968D+02 -0.446366D+02 -0.783708D+01 -0.110481D+01 -0.100850D+02
      3  -0.108677D+02  0.679527D+02  0.964447D+01  0.855119D+00  0.133048D+02
      4  -0.198116D+01 -0.181780D+02  0.501755D+00  0.241804D+01  0.632419D+00
      5  -0.176473D+02  0.981702D+01  0.644892D+01  0.359924D+01  0.125345D+02
      6   0.364945D+01 -0.433989D+02  0.109486D+01  0.162422D+01 -0.185795D+01
                31            32            33            34            35 
      1  -0.383843D+01 -0.124300D+02 -0.230589D+02 -0.461187D+01 -0.106564D+02
      2  -0.605683D+01 -0.115828D+02 -0.265262D+02 -0.107970D+02 -0.148791D+02
      3   0.989526D+01  0.240128D+02  0.495851D+02  0.154089D+02  0.255355D+02
      4   0.400360D+01  0.697350D+01  0.860654D+01  0.390997D+01  0.557594D+01
      5   0.531509D+01  0.589953D+01  0.925688D+01  0.111397D+02  0.876459D+01
      6   0.626316D+01  0.161265D+02  0.194381D+02  0.670732D+01  0.124745D+02
                36            37            38            39            40 
      1  -0.241202D+02  0.163071D+01  0.125391D+02 -0.544730D+01  0.334011D+02
      2  -0.326860D+02 -0.760015D+01 -0.218432D+02 -0.966590D+01 -0.187774D+02
      3   0.568062D+02  0.596944D+01  0.930406D+01  0.151132D+02 -0.146237D+02
      4   0.953867D+01  0.196441D+01  0.682625D+01  0.550383D+01 -0.352530D+02
      5   0.178944D+02 -0.349427D+01  0.143823D+02  0.561682D+00  0.190789D+02
      6   0.208540D+02  0.883131D+01 -0.296600D+01  0.833763D+01 -0.233265D+02
                41            42            43            44            45 
      1  -0.201247D+02  0.136610D+02 -0.198463D+02 -0.317367D+01 -0.428227D+02
      2   0.933429D+01  0.146708D+02  0.108596D+01  0.710714D+01 -0.158200D+02
      3   0.107904D+02 -0.283318D+02  0.187604D+02 -0.393347D+01  0.586427D+02
      4   0.109550D+02 -0.168748D+02 -0.333977D+02  0.196839D+02 -0.233054D+02
      5  -0.213411D+02 -0.699389D+01  0.787818D+01 -0.208584D+02  0.134770D+02
      6   0.189556D+02  0.546201D+01 -0.375136D+02  0.354262D+02 -0.459493D+02
                46            47            48            49            50 
      1   0.251355D+02 -0.104482D+01  0.916320D+01 -0.389564D+01  0.877769D+00
      2  -0.452672D+02  0.579056D+01 -0.369361D+02 -0.208437D+01 -0.276561D+01
      3   0.201317D+02 -0.474574D+01  0.277729D+02  0.598001D+01  0.188784D+01
      4  -0.252879D+02  0.914820D+01 -0.193352D+02  0.931763D+01 -0.348105D+01
      5   0.648856D+02 -0.110009D+02  0.540662D+02 -0.232647D+01  0.684936D+01
      6  -0.251815D+02  0.100028D+02 -0.243014D+02  0.695044D+01 -0.358385D+01
                51            52            53            54            55 
      1  -0.387945D+01  0.128340D+02  0.179941D+00  0.598528D+01  0.168479D+02
      2  -0.649842D+01 -0.358929D+02  0.153439D+01 -0.348374D+02 -0.446475D+01
      3   0.103779D+02  0.230589D+02 -0.171433D+01  0.288521D+02 -0.123832D+02
      4   0.599653D+01 -0.123877D+02  0.417021D+01 -0.110848D+02  0.151437D+02
      5   0.187894D+01  0.474508D+02 -0.445482D+01  0.452308D+02 -0.179598D+01
      6   0.427099D+01 -0.143485D+02  0.556792D+01 -0.148256D+02  0.154306D+02
                56            57            58            59            60 
      1   0.466162D+01  0.143110D+02  0.121460D+01 -0.164217D+02  0.172442D+02
      2  -0.493627D+01 -0.928875D+01  0.254965D+02  0.103951D+01  0.467633D+01
      3   0.274648D+00 -0.502222D+01 -0.267111D+02  0.153822D+02 -0.219206D+02
      4  -0.133115D+02  0.176436D+02  0.960585D+01 -0.229979D+01  0.267838D+02
      5   0.140454D+02  0.605025D+01 -0.239612D+02  0.202887D+02 -0.201974D+02
      6  -0.228226D+02  0.977069D+01  0.285351D+02 -0.343717D+02  0.374199D+02
                61            62            63            64            65 
      1  -0.135740D+02  0.306691D+02  0.107800D+02  0.121194D+02 -0.352141D+01
      2   0.277284D+02 -0.312721D+02  0.163706D+02  0.116102D+02 -0.169510D+02
      3  -0.141543D+02  0.603007D+00 -0.271507D+02 -0.237296D+02  0.204724D+02
      4   0.398871D+02  0.216612D+01  0.160017D+02 -0.457598D+02  0.415281D+02
      5  -0.216986D+02  0.157674D+02 -0.857730D+01  0.148317D+02 -0.128341D+02
      6   0.275570D+02  0.169455D+01  0.124450D+02 -0.196000D+02  0.216054D+02
                66            67            68            69            70 
      1  -0.308120D+00 -0.608740D+01 -0.213219D+01  0.186847D+01  0.226839D+01
      2   0.263017D+01 -0.202962D+02  0.315677D+02 -0.372815D+01 -0.380723D+01
      3  -0.232205D+01  0.263836D+02 -0.294355D+02  0.185968D+01  0.153884D+01
      4  -0.947275D+01  0.446003D+02 -0.474383D+02  0.565249D+01 -0.736483D+00
      5   0.702818D+01 -0.962017D+01  0.939494D+01 -0.460441D+01  0.607465D+01
      6  -0.930333D+01  0.176792D+02 -0.221952D+02  0.727101D+01 -0.508752D+01
                71            72            73            74            75 
      1  -0.205207D+01 -0.198810D+00 -0.252793D+02 -0.846060D+01 -0.244210D+02
      2   0.719610D+01  0.243497D+01 -0.229371D+02  0.111508D+02 -0.249125D+02
      3  -0.514403D+01 -0.223616D+01  0.482164D+02 -0.269022D+01  0.493335D+02
      4  -0.294376D+01 -0.556093D+01 -0.470459D+02  0.110793D+02 -0.351077D+02
      5  -0.436112D+01  0.194375D+01  0.204223D+02 -0.147452D+02  0.175938D+02
      6   0.293952D+01 -0.234733D+01 -0.389153D+02  0.445030D+01 -0.328020D+02
                76            77            78            79            80 
      1   0.387883D+02 -0.361270D+02  0.232691D+02  0.291812D+00 -0.109468D+02
      2   0.436026D+02  0.519899D+02  0.834217D+02  0.119024D+02  0.225717D+02
      3  -0.823909D+02 -0.158629D+02 -0.106691D+03 -0.121942D+02 -0.116249D+02
      4   0.454235D+02 -0.265421D+02  0.428893D+02 -0.247864D+01 -0.785374D+01
      5  -0.426911D+02 -0.611167D+01 -0.412211D+02 -0.488314D+01 -0.928080D+01
      6   0.556383D+02 -0.394899D+01  0.665695D+02  0.309362D+01  0.157615D+02
                81            82            83            84            85 
      1  -0.653812D+01 -0.543400D+02  0.853519D+02 -0.993765D+01 -0.162226D+02
      2   0.383664D+02 -0.232675D+00 -0.798786D+02 -0.364340D+02 -0.143476D+02
      3  -0.318283D+02  0.545727D+02 -0.547328D+01  0.463717D+02  0.305702D+02
      4  -0.163114D+00 -0.443086D+02  0.229054D+02 -0.229750D+02 -0.246195D+02
      5  -0.201206D+02  0.129225D+02  0.869861D+01  0.252618D+02  0.114712D+02
      6   0.117876D+02 -0.226566D+02 -0.127972D+02 -0.433017D+02 -0.972632D+01
                86            87            88            89            90 
      1  -0.603624D+01  0.360451D+01 -0.473856D+02  0.824854D+02 -0.296482D+02
      2   0.195009D+01 -0.474770D+02  0.181628D+01 -0.100528D+03 -0.249606D+02
      3   0.408615D+01  0.438725D+02  0.455694D+02  0.180423D+02  0.546088D+02
      4   0.287610D+02 -0.621409D+01 -0.141228D+02  0.157750D+02 -0.302453D+02
      5   0.550805D+01  0.190458D+02  0.293087D+02  0.396670D+01  0.231615D+02
      6  -0.198911D+02 -0.123053D+02 -0.476079D+02  0.288757D+02 -0.558899D+02
                91            92            93            94            95 
      1   0.647681D+02 -0.300994D+02  0.390543D+02 -0.749950D+01  0.386824D+01
      2   0.214836D+02  0.313561D+02  0.506391D+02 -0.486871D+02 -0.134640D+02
      3  -0.862516D+02 -0.125667D+01 -0.896934D+02  0.561866D+02  0.959575D+01
      4   0.596725D+02 -0.276932D+02  0.455104D+02 -0.344788D+02  0.228190D+01
      5  -0.358338D+02 -0.524055D+01 -0.295398D+02  0.277927D+02 -0.721329D+01
      6   0.536432D+02 -0.450022D+01  0.604672D+02 -0.473064D+02  0.227557D+01
                96            97            98            99           100 
      1  -0.765798D+01  0.312502D+02 -0.209111D+02  0.227081D+02 -0.382256D+02
      2  -0.616856D+02 -0.177924D+02  0.129303D+02 -0.674496D+01 -0.111818D+02
      3   0.693436D+02 -0.134578D+02  0.798075D+01 -0.159631D+02  0.494075D+02
      4  -0.425141D+02  0.857416D+01 -0.276786D+02  0.612784D+01 -0.314034D+02
      5   0.343945D+02 -0.354739D+00 -0.357029D+01 -0.461758D+01  0.320221D+01
      6  -0.489893D+02  0.440287D+01 -0.342016D+01  0.486072D+01 -0.256014D+02
               101           102           103           104           105 
      1  -0.139104D+02 -0.232401D+02 -0.117129D+03  0.157883D+03 -0.730705D+02
      2   0.562735D+00 -0.215794D+02  0.532623D+02 -0.122772D+03  0.314851D+02
      3   0.133477D+02  0.448196D+02  0.638668D+02 -0.351111D+02  0.415855D+02
      4   0.393597D+02 -0.232393D+02 -0.599787D+02 -0.201324D+02 -0.440837D+02
      5   0.180161D+02  0.148811D+02 -0.291111D+00 -0.366503D+02 -0.274941D+01
      6   0.104074D+01 -0.252866D+02 -0.560303D+02  0.187837D+02 -0.311829D+02
               106           107           108           109           110 
      1  -0.874336D+02  0.697558D+02 -0.487015D+02 -0.116322D+02  0.580813D+02
      2   0.268630D+02 -0.508156D+02 -0.486317D+01  0.505285D+02 -0.689138D+02
      3   0.605706D+02 -0.189402D+02  0.535646D+02 -0.388963D+02  0.108325D+02
      4  -0.424793D+02  0.114069D+02 -0.312861D+02  0.617241D+02  0.366931D+02
      5   0.614005D+01 -0.682809D+01 -0.105449D+01  0.134530D+02  0.160103D+02
      6  -0.393307D+02  0.717691D+01 -0.382291D+02  0.389925D+02 -0.111675D+02
               111           112           113           114           115 
      1   0.308217D+02  0.146715D+03 -0.189349D+03  0.835614D+02  0.625838D+02
      2   0.186978D-01 -0.697464D+02  0.156155D+03 -0.223949D+02 -0.114710D+02
      3  -0.308404D+02 -0.769683D+02  0.331945D+02 -0.611665D+02 -0.511128D+02
      4   0.448420D+02  0.614372D+02 -0.140413D+02  0.373576D+02  0.455620D+02
      5   0.957796D+01 -0.746135D+01  0.293544D+02 -0.268915D+01  0.100645D+01
      6   0.233340D+02  0.541572D+02 -0.230138D+02  0.365713D+02  0.419591D+02
               116           117           118           119           120 
      1  -0.499756D+02  0.365348D+02  0.100626D+03 -0.147921D+03  0.470877D+02
      2   0.199624D+02 -0.251992D+01 -0.468033D+02  0.156139D+03  0.123254D+01
      3   0.300133D+02 -0.340149D+02 -0.538226D+02 -0.821746D+01 -0.483203D+02
      4  -0.995516D+01  0.408592D+02  0.516691D+02 -0.530075D+02  0.179004D+02
      5   0.261400D+02 -0.233451D+00 -0.217028D+02 -0.512169D+01 -0.193874D+02
      6   0.818190D+00  0.368586D+02  0.276408D+02 -0.322119D+02  0.220182D+02
               121           122           123           124           125 
      1  -0.570958D+02  0.795289D+02 -0.179992D+02  0.499301D+02 -0.431776D+02
      2   0.508174D+02 -0.550732D+02  0.849127D+01 -0.370371D+02  0.364413D+02
      3   0.627842D+01 -0.244557D+02  0.950793D+01 -0.128930D+02  0.673630D+01
      4   0.999727D+01  0.301924D+02 -0.159717D+01  0.151733D+02 -0.420697D+02
      5   0.618150D+01 -0.113976D+02  0.639996D+01 -0.160868D+01 -0.373651D+01
      6  -0.115110D+02 -0.760815D+01 -0.171929D+02  0.261040D+02 -0.545222D+01
               126           127           128           129           130 
      1   0.109436D+02 -0.114563D+03  0.133871D+03 -0.381034D+02 -0.184232D+02
      2   0.496265D+01  0.721380D+02 -0.535803D+02  0.289324D+02  0.146310D+02
      3  -0.159062D+02  0.424247D+02 -0.802908D+02  0.917091D+01  0.379216D+01
      4   0.117454D+02 -0.822849D+01 -0.141407D+03 -0.622962D+01  0.508048D+01
      5  -0.181540D+02 -0.110925D+02 -0.966650D+02 -0.352885D+01 -0.110712D+02
      6   0.510349D+02 -0.179477D+02  0.273293D+01 -0.792535D+01  0.213882D+02
               131           132           133           134           135 
      1  -0.556704D+02  0.132358D+02 -0.312755D+02  0.216672D+02 -0.125937D+02
      2   0.633328D+02 -0.208201D+02  0.262478D+02  0.565878D+01  0.445626D+01
      3  -0.766247D+01  0.758428D+01  0.502772D+01 -0.273260D+02  0.813744D+01
      4  -0.476355D+02  0.139916D+02  0.664421D+01 -0.552515D+02  0.973427D+00
      5  -0.351470D+02  0.601561D+01 -0.129476D+02 -0.396786D+02 -0.871452D+01
      6  -0.957993D+01 -0.151345D+01  0.164217D+00 -0.148388D+00  0.495646D+00
               136           137           138           139           140 
      1   0.140040D+03 -0.140388D+03  0.389128D+02 -0.386515D+02  0.617362D+02
      2  -0.802349D+02  0.569838D+02 -0.169905D+02  0.304304D+02 -0.882614D+02
      3  -0.598049D+02  0.834040D+02 -0.219223D+02  0.822108D+01  0.265252D+02
      4  -0.104887D+02  0.131968D+03 -0.735840D+01  0.604056D+02  0.749833D+02
      5   0.880445D+01  0.992784D+02 -0.330987D+01  0.182131D+02  0.515266D+02
      6   0.784741D+01  0.198589D+01  0.848659D+01  0.226351D+02 -0.139330D+01
               141           142           143           144           145 
      1  -0.178712D+01  0.615169D+01 -0.262991D+02  0.204895D+02  0.326766D+02
      2   0.247487D+01 -0.602383D+01 -0.448470D+01 -0.244986D+02  0.503032D+01
      3  -0.687743D+00 -0.127860D+00  0.307838D+02  0.400906D+01 -0.377069D+02
      4   0.237344D+02  0.108280D+02  0.602974D+02  0.138912D+02  0.524405D+02
      5   0.881982D+01  0.314543D+02  0.514936D+02  0.130459D+02 -0.131541D+02
      6   0.744312D+01  0.180433D+02  0.127819D+01  0.803703D+00  0.175568D+02
               146           147           148           149           150 
      1  -0.286686D+02  0.586109D+01 -0.714306D+01  0.253918D+02 -0.352159D+02
      2   0.136676D+02  0.371547D+00 -0.127139D+02  0.403314D+02  0.258455D+02
      3   0.150010D+02 -0.623264D+01  0.198570D+02 -0.657232D+02  0.937032D+01
      4   0.483405D+02  0.245163D+02 -0.621838D+02 -0.120446D+03 -0.422956D+02
      5   0.165267D+02  0.899541D+01 -0.361447D+02 -0.844173D+02 -0.258594D+02
      6   0.104861D+02  0.188154D+02 -0.477066D+02 -0.621656D+01 -0.262623D+02
               151           152           153           154           155 
      1  -0.246138D+02 -0.154692D+02  0.673825D+01 -0.483491D+02  0.157429D+02
      2  -0.120787D+02  0.246606D+02 -0.217632D+02 -0.931013D+01  0.469580D+02
      3   0.366925D+02 -0.919142D+01  0.150250D+02  0.576592D+02 -0.627009D+02
      4  -0.411552D+02 -0.261680D+02  0.450231D+01 -0.785817D+02 -0.412756D+02
      5   0.243288D+02 -0.215264D+02  0.242741D+02 -0.205624D+02 -0.548409D+02
      6   0.766860D+01  0.284416D+01  0.824308D+01 -0.537759D+02 -0.138134D+01
               156           157           158           159           160 
      1  -0.447867D+02  0.543619D+02 -0.114136D+02  0.394477D+02 -0.225672D+01
      2   0.179245D+02 -0.214408D+02 -0.148094D+01 -0.293720D+02 -0.224813D+02
      3   0.268623D+02 -0.329210D+02  0.128945D+02 -0.100757D+02  0.247380D+02
      4  -0.611329D+02  0.653657D+02  0.715996D+02  0.141371D+02 -0.309532D+02
      5  -0.246760D+02  0.187457D+02  0.263820D+02  0.134959D+02  0.539336D+01
      6  -0.383686D+02  0.176193D+02 -0.133324D+02  0.799095D+01 -0.161296D+02
               161           162           163           164           165 
      1  -0.124839D+02 -0.310440D+02 -0.934405D+02 -0.851024D+02 -0.282593D+01
      2  -0.147212D+02 -0.452340D+01  0.626087D+02  0.982245D+02  0.419095D+01
      3   0.272051D+02  0.355674D+02  0.308318D+02 -0.131221D+02 -0.136502D+01
      4  -0.286529D+02 -0.171726D+01  0.609487D+02 -0.147076D+02 -0.145657D+02
      5   0.150092D+02  0.138304D+02 -0.554078D+02 -0.624185D+02 -0.164633D+01
      6   0.243361D+02  0.448832D+01 -0.920970D+01  0.278244D+02  0.306307D+01
               166           167           168           169           170 
      1   0.827007D+02  0.466926D+02  0.137795D+01  0.249284D+02  0.116344D+02
      2  -0.621107D+02 -0.957435D+02  0.413043D+01 -0.204134D+02 -0.203918D+02
      3  -0.205901D+02  0.490508D+02 -0.550838D+01 -0.451502D+01  0.875747D+01
      4  -0.190594D+02  0.884948D+02 -0.103754D+02 -0.154220D+01  0.280929D+02
      5   0.351796D+02  0.779638D+02 -0.499558D+01  0.561337D+01  0.283847D+02
      6  -0.188068D+02 -0.109975D+02 -0.251881D+01 -0.739816D+00 -0.293096D+01
               171           172           173           174           175 
      1  -0.747792D+01  0.138639D+03  0.254259D+02 -0.567994D+01 -0.501381D+02
      2  -0.286668D+01 -0.877079D+02 -0.332343D+02  0.101763D+02  0.437753D+02
      3   0.103446D+02 -0.509309D+02  0.780845D+01 -0.449635D+01  0.636283D+01
      4   0.187217D+01 -0.837232D+02 -0.953474D+01 -0.637254D+01  0.208889D+01
      5   0.314281D+01  0.481802D+02  0.468174D+02 -0.709567D+01 -0.558161D+02
      6  -0.377568D+01 -0.166110D+02 -0.733129D+01 -0.390860D+01  0.239221D+01
               176           177           178           179           180 
      1  -0.103788D+03 -0.573519D+01  0.308205D+01 -0.250731D+02 -0.165485D+01
      2   0.167037D+03  0.109576D+02  0.720729D+01  0.427946D+02  0.160822D+01
      3  -0.632495D+02 -0.522242D+01 -0.102893D+02 -0.177215D+02  0.466302D-01
      4  -0.103612D+03 -0.699340D+01 -0.837026D+01 -0.233370D+02 -0.190021D+02
      5  -0.111051D+03 -0.456419D+00  0.197515D+01 -0.415771D+02 -0.106236D+02
      6   0.446587D+02  0.319158D+01 -0.138656D+02  0.268581D+02  0.481575D+00
               181           182           183           184           185 
      1  -0.792824D+02  0.576355D+01  0.388056D+01 -0.145760D+03  0.328910D+02
      2   0.433175D+02 -0.135259D+02 -0.704401D+01  0.102272D+03 -0.230971D+02
      3   0.359649D+02  0.776232D+01  0.316345D+01  0.434882D+02 -0.979390D+01
      4   0.557413D+02  0.208513D+02  0.136922D+02  0.462807D+02 -0.274134D+02
      5  -0.293648D+02 -0.110914D+02  0.122185D+02 -0.378177D+02 -0.222078D+02
      6   0.168712D+02 -0.542847D+01 -0.178649D+01  0.250174D+02 -0.103801D+02
               186           187           188           189           190 
      1  -0.162874D+02 -0.735095D+02  0.271020D+02  0.176696D+02 -0.385597D+01
      2   0.655865D+01  0.513287D+02 -0.265182D+02 -0.144614D+02 -0.344690D+00
      3   0.972875D+01  0.221808D+02 -0.583777D+00 -0.320812D+01  0.420066D+01
      4   0.304832D+02  0.158226D+02  0.137537D+02 -0.194945D+02 -0.241006D+01
      5  -0.780703D+01  0.297326D+02 -0.530363D+02 -0.142853D+02 -0.116272D+02
      6   0.985886D+01 -0.515205D+01  0.181880D+02 -0.202289D+01  0.196073D+01
               191           192           193           194           195 
      1   0.479477D+02 -0.224945D+02  0.163003D+03 -0.102599D+03 -0.202490D+00
      2  -0.402753D+02  0.121609D+02 -0.100519D+03  0.719648D+02  0.103773D+02
      3  -0.767243D+01  0.103336D+02 -0.624841D+02  0.306342D+02 -0.101748D+02
      4   0.153339D+02  0.583480D+01 -0.791046D+02  0.564822D+02 -0.264268D+02
      5  -0.335232D+01  0.100891D+02 -0.138284D+02  0.446292D+02 -0.485667D+01
      6  -0.168141D+01  0.172008D+01 -0.170470D+02  0.602706D+01 -0.167062D+01
               196           197           198           199           200 
      1   0.955769D+01 -0.328273D+02  0.240079D+02  0.392270D+02  0.509390D+02
      2  -0.131057D+02  0.202340D+02 -0.244114D+02 -0.403247D+02 -0.503262D+02
      3   0.354798D+01  0.125933D+02  0.403486D+00  0.109773D+01 -0.612770D+00
      4  -0.453990D+02  0.668531D+01 -0.933398D+01 -0.306470D+02 -0.115623D+02
      5   0.505381D+02  0.248690D+02  0.225943D+02  0.250742D+02  0.351164D+02
      6  -0.157782D+02  0.118272D+01 -0.116357D+02  0.773146D+01 -0.180619D+02
               201           202           203           204           205 
      1  -0.458264D+01 -0.873968D+00  0.292653D+02  0.919288D+01  0.165067D+01
      2  -0.856822D+00  0.242942D+02 -0.410962D+02 -0.172545D+02  0.113126D+02
      3   0.543947D+01 -0.234202D+02  0.118309D+02  0.806165D+01 -0.129633D+02
      4   0.121151D+02 -0.133926D+03 -0.288626D+02  0.300416D+02 -0.541577D+02
      5   0.481812D+01  0.483335D+02  0.103295D+02 -0.107687D+02  0.220515D+02
      6  -0.581903D+01  0.253687D+02 -0.747631D+01 -0.551032D+01  0.101893D+02
               206           207           208           209           210 
      1   0.790097D+01  0.369263D+01  0.934115D+01  0.116050D+03  0.165617D+02
      2  -0.759961D+01 -0.124795D+02 -0.131222D+02 -0.146915D+03 -0.142130D+02
      3  -0.301363D+00  0.878684D+01  0.378108D+01  0.308654D+02 -0.234869D+01
      4  -0.611191D+01  0.898431D+01 -0.488478D+02  0.306378D+02  0.211827D+02
      5   0.544270D+00 -0.497676D+00  0.487653D+02  0.562994D+02  0.761891D+01
      6  -0.604079D+00 -0.710309D+01  0.443355D+01 -0.394029D+02 -0.210233D+02
               211           212           213           214           215 
      1   0.142786D+02  0.786371D+02  0.419973D+01 -0.670991D+01  0.228411D+02
      2  -0.283635D+02 -0.120460D+03 -0.880340D+01  0.203922D+02 -0.426009D+02
      3   0.140849D+02  0.418232D+02  0.460368D+01 -0.136823D+02  0.197598D+02
      4   0.370968D+01  0.549291D+02  0.233848D+02 -0.324962D+01  0.257708D+02
      5   0.270427D+02  0.808266D+02  0.281683D+01  0.368331D+02  0.122094D+02
      6   0.146165D+02 -0.447468D+02 -0.425974D+01 -0.386947D+02  0.478095D+01
               216           217           218           219           220 
      1  -0.332670D+01  0.167208D+02 -0.855646D+02 -0.133339D+02 -0.230179D+02
      2  -0.250902D+01 -0.292265D+02  0.114663D+03  0.177347D+02  0.263218D+02
      3   0.583572D+01  0.125057D+02 -0.290987D+02 -0.440080D+01 -0.330394D+01
      4  -0.269540D+02  0.117298D+03 -0.436394D+02 -0.428748D+02 -0.119601D+02
      5  -0.954490D+01 -0.582802D+02 -0.624211D+02 -0.265023D+01  0.142575D+02
      6   0.963522D+01 -0.223328D+02  0.345988D+02  0.199628D+02  0.266338D+01
               221           222           223           224           225 
      1  -0.173363D+02  0.167392D+02 -0.123772D+02  0.816039D+01 -0.258294D+02
      2   0.298688D+02 -0.236716D+02  0.535049D+01 -0.350687D+02  0.156413D+02
      3  -0.125325D+02  0.693246D+01  0.702666D+01  0.269083D+02  0.101881D+02
      4  -0.284658D+02  0.537790D+01 -0.107194D+02 -0.764035D+00  0.337346D+01
      5  -0.709409D+01 -0.476573D+01  0.467046D+01 -0.155691D+02 -0.112029D+02
      6  -0.203800D+02  0.265863D+00  0.219882D+02  0.458662D+02  0.168278D+02
               226           227           228           229           230 
      1  -0.689138D+02  0.968248D+01  0.124231D+02  0.116852D+02 -0.453736D+02
      2   0.655456D+02 -0.105551D+02 -0.143438D+02 -0.351101D+02  0.629545D+02
      3   0.336817D+01  0.872642D+00  0.192076D+01  0.234250D+02 -0.175809D+02
      4  -0.231138D+02  0.382696D+02  0.248620D+02  0.138498D+03  0.273347D+02
      5   0.182701D+02  0.113689D+02 -0.631998D+01 -0.596935D+02 -0.193602D+02
      6   0.154457D+02 -0.522611D+01 -0.477374D+01 -0.289996D+02  0.111379D+02
               231           232           233           234           235 
      1  -0.603670D+01  0.110573D+02 -0.528089D+01 -0.189774D+02  0.520759D+02
      2   0.241284D+02 -0.177457D+02  0.832935D+01  0.172201D+02 -0.448348D+02
      3  -0.180917D+02  0.668836D+01 -0.304846D+01  0.175729D+01 -0.724109D+01
      4  -0.326348D+02  0.488619D+02  0.829357D+01 -0.136021D+02 -0.322520D+02
      5   0.114855D+02 -0.239053D+02 -0.460741D+01  0.835037D+01 -0.453444D+01
      6   0.941769D+01 -0.126137D+02  0.162626D+02  0.851082D+01 -0.185272D+01
               236           237           238           239           240 
      1  -0.160332D+01 -0.145641D+02 -0.451959D+01  0.394969D+01  0.150026D+02
      2  -0.132719D+02  0.720772D+01  0.802458D+01  0.316585D+01 -0.195165D+02
      3   0.148753D+02  0.735634D+01 -0.350499D+01 -0.711554D+01  0.451389D+01
      4  -0.644612D+02 -0.137391D+02  0.304213D+02  0.167660D+02 -0.918993D+01
      5  -0.100795D+02 -0.181086D+01  0.327801D+01 -0.833854D+01 -0.147364D+01
      6   0.955888D+01  0.160706D+01 -0.787302D+01 -0.233943D+02  0.259613D+01
               241           242           243           244           245 
      1  -0.102070D+02  0.191495D+02 -0.995731D+01 -0.617865D+01 -0.276269D+02
      2   0.720250D+01 -0.255313D+02  0.915550D+01 -0.252280D+01  0.369627D+02
      3   0.300450D+01  0.638183D+01  0.801811D+00  0.870146D+01 -0.933588D+01
      4   0.257182D+02  0.112249D+02  0.148218D+02  0.305859D+02  0.390418D+02
      5   0.963362D+01  0.117081D+02  0.945771D+01 -0.157641D+02  0.712743D+01
      6   0.810030D+01  0.220960D+02  0.119783D+02 -0.224651D+00  0.219025D+01
               246           247           248           249           250 
      1  -0.650885D+01  0.544701D+02 -0.186328D+02 -0.222930D+02  0.402742D+02
      2   0.112205D+02 -0.574129D+02  0.246320D+01  0.169343D+02 -0.392367D+02
      3  -0.471165D+01  0.294285D+01  0.161696D+02  0.535877D+01 -0.103755D+01
      4   0.504532D+01 -0.167592D+02 -0.477612D+02 -0.269914D+02 -0.183380D+02
      5   0.191157D+02 -0.443730D+02 -0.151246D+02  0.826679D+01  0.149459D+02
      6   0.101072D+02 -0.233474D+02 -0.349294D+01  0.671461D+01  0.175920D+02
               251           252           253           254           255 
      1   0.343604D+01 -0.662315D+01  0.755658D+01  0.206606D+02 -0.419533D+01
      2  -0.137758D+02  0.230081D+01 -0.148343D+02  0.505791D+01  0.523532D+01
      3   0.103398D+02  0.432234D+01  0.727771D+01 -0.257185D+02 -0.104000D+01
      4  -0.428028D+02  0.126743D+02  0.782656D+02  0.238266D+02 -0.899569D+01
      5   0.468648D+01 -0.516009D+01 -0.180138D+02  0.316718D+01 -0.307075D+01
      6   0.172630D+02 -0.960701D+01 -0.454970D+01  0.727394D+01  0.503279D+01
               256           257           258           259           260 
      1  -0.307817D+02  0.835051D+01  0.100542D+02 -0.592885D+01 -0.550122D+01
      2   0.370814D+02  0.238324D+01  0.142955D+01  0.150863D+02  0.696714D+01
      3  -0.629965D+01 -0.107337D+02 -0.114837D+02 -0.915742D+01 -0.146591D+01
      4  -0.390376D+01  0.494469D+02  0.170017D+02 -0.213959D+02  0.140070D+02
      5   0.717036D+01  0.147914D+02  0.122409D+02  0.165118D+02  0.912911D+01
      6   0.137519D+02 -0.316929D+01 -0.275411D+01  0.187729D+02  0.151369D+01
               261           262           263           264           265 
      1   0.628167D+01 -0.351708D+02 -0.122059D+02  0.115011D+02 -0.114329D+02
      2  -0.856752D+01  0.454241D+02 -0.516522D+01 -0.227284D+02  0.822648D+01
      3   0.228585D+01 -0.102533D+02  0.173711D+02  0.112273D+02  0.320642D+01
      4   0.151406D+02 -0.796620D+02 -0.304307D+02  0.555153D+01  0.129293D+02
      5  -0.414592D+01  0.397446D+02 -0.203579D+02 -0.159761D+02  0.152343D+02
      6  -0.116787D+02  0.455876D+01  0.297867D+01 -0.329741D+01 -0.199095D+01
               266           267           268           269           270 
      1   0.917731D+01  0.729487D+01 -0.236246D+00  0.938036D+01 -0.108481D+02
      2  -0.172920D+02 -0.722502D+01 -0.208328D+01 -0.514178D+01 -0.925060D+01
      3   0.811471D+01 -0.698502D-01  0.231952D+01 -0.423858D+01  0.200987D+02
      4  -0.103008D+02 -0.623127D+00  0.161845D+02  0.811249D+01 -0.939813D+01
      5   0.354264D+01 -0.950054D+01  0.116347D+01 -0.733008D+01  0.188188D+01
      6  -0.722843D+01  0.331217D+00 -0.262056D+01  0.919498D+00 -0.863194D+01
               271           272           273           274           275 
      1  -0.920675D+01  0.209645D+02 -0.160910D+01  0.153707D+02 -0.364488D+02
      2   0.295006D+02 -0.495456D+02 -0.357476D+00 -0.360522D+02  0.775309D+02
      3  -0.202939D+02  0.285811D+02  0.196658D+01  0.206814D+02 -0.410821D+02
      4  -0.319469D+02  0.419374D+02  0.170111D+01  0.307214D+02 -0.472922D+02
      5  -0.249025D+01  0.383394D+01  0.323662D+01  0.549128D+01 -0.764655D+01
      6  -0.347113D+01  0.543394D+01 -0.711990D+01 -0.371312D+01  0.240130D+01
               276           277           278           279           280 
      1  -0.401626D+01  0.208470D+01 -0.825520D+01 -0.215829D+01 -0.185373D+01
      2   0.616315D+01 -0.616894D+01  0.134620D+02  0.254987D+01  0.532030D+01
      3  -0.214689D+01  0.408423D+01 -0.520676D+01 -0.391582D+00 -0.346657D+01
      4  -0.525964D+01 -0.384652D+01 -0.603353D+00 -0.632431D+01  0.765815D+01
      5  -0.253800D+01  0.274047D+01 -0.372943D+01 -0.275204D+00  0.127141D+01
      6   0.540368D+01 -0.487377D+01  0.696041D+01  0.146945D+01  0.854617D+01
               281           282           283           284           285 
      1  -0.798161D+01 -0.350863D+01 -0.653090D+01 -0.581405D+02 -0.288510D+02
      2   0.111931D+02  0.504831D+01  0.953624D+01  0.917095D+02  0.386638D+02
      3  -0.321153D+01 -0.153967D+01 -0.300534D+01 -0.335690D+02 -0.981281D+01
      4   0.135794D+02  0.972131D+01  0.771485D+01  0.244947D+02  0.971663D+01
      5   0.384822D+01  0.269164D+01  0.179149D+01 -0.108541D+01 -0.440006D-01
      6   0.885326D+01  0.103119D+02  0.530503D+01  0.477402D+02  0.321825D+02
               286           287           288           289           290 
      1  -0.525635D+01 -0.306223D+02 -0.207799D+02  0.102348D+03  0.245125D+02
      2   0.114771D+02  0.436568D+02  0.253320D+02 -0.637784D+02 -0.130903D+02
      3  -0.622076D+01 -0.130345D+02 -0.455211D+01 -0.385696D+02 -0.114222D+02
      4   0.103704D+02  0.180329D+02  0.116077D+02  0.618177D+02  0.241064D+02
      5   0.180026D+01  0.177278D+01  0.323439D+01  0.549717D+02  0.135787D+02
      6   0.443914D+01  0.339028D+02  0.224526D+02  0.164301D+02  0.664281D+01
               291           292           293           294           295 
      1   0.367580D+02  0.658985D+01  0.142844D+02  0.455438D+01  0.362269D+02
      2  -0.277202D+02 -0.174207D+01 -0.540792D+01 -0.290004D+01 -0.215966D+02
      3  -0.903782D+01 -0.484778D+01 -0.887649D+01 -0.165434D+01 -0.146303D+02
      4   0.238441D+02  0.237349D+02  0.127431D+02  0.112894D+02  0.268360D+02
      5   0.321016D+02  0.117945D+02  0.614459D+01  0.775461D+01  0.234276D+02
      6   0.989819D+01  0.919533D+01  0.415240D+01  0.630457D+01  0.730352D+01
               296           297           298           299           300 
      1   0.783342D+01  0.149805D+02  0.222175D+00  0.532695D+01 -0.934682D+00
      2  -0.462047D+01 -0.111974D+02  0.509022D+01  0.135698D+01  0.147498D+01
      3  -0.321295D+01 -0.378313D+01 -0.531239D+01 -0.668393D+01 -0.540299D+00
      4   0.922461D+01  0.117842D+02  0.193057D+02  0.245110D+02  0.144583D+02
      5   0.912766D+01  0.153215D+02  0.898665D+01  0.124669D+02  0.101493D+02
      6   0.501236D+01  0.508388D+01  0.101665D+02  0.129460D+02  0.865448D+01
               301           302           303           304           305 
      1  -0.559691D+01 -0.337170D+02 -0.164907D+02 -0.532503D+01 -0.937103D+01
      2   0.173175D+02  0.529374D+02  0.198745D+02  0.769335D+01  0.210865D+02
      3  -0.117206D+02 -0.192204D+02 -0.338380D+01 -0.236831D+01 -0.117155D+02
      4   0.331631D+02  0.663102D+02  0.322683D+02  0.212626D+02  0.390535D+02
      5   0.116923D+02  0.250295D+02  0.168396D+02  0.114727D+02  0.137978D+02
      6   0.187759D+02  0.493844D+02  0.303957D+02  0.135938D+02  0.260317D+02
               306           307           308           309           310 
      1  -0.837936D+01  0.747549D+02 -0.421331D+02 -0.370502D+01 -0.415943D+02
      2   0.874703D+01 -0.279600D+02  0.131142D+02  0.213500D+01  0.733970D+01
      3  -0.367680D+00 -0.467949D+02  0.290188D+02  0.157002D+01  0.342546D+02
      4   0.201235D+02 -0.733931D+02  0.499883D+02  0.175011D+01  0.637630D+02
      5   0.126300D+02 -0.100011D+02  0.226574D+01  0.839513D+01  0.982187D+01
      6   0.206894D+02 -0.110595D+01  0.172587D+01 -0.379179D+01 -0.130387D+01
               311           312           313           314           315 
      1   0.291315D+02  0.440282D+01 -0.509468D+01  0.192735D+01  0.155983D+01
      2   0.139090D+01 -0.199595D+01  0.802124D+00  0.176196D+01 -0.384112D+00
      3  -0.305224D+02 -0.240687D+01  0.429255D+01 -0.368932D+01 -0.117572D+01
      4  -0.587119D+02 -0.548718D+01  0.104053D+02 -0.114952D+02 -0.316838D+01
      5  -0.120821D+02 -0.778018D+01  0.571178D+01  0.380280D+00 -0.797672D+00
      6   0.236443D+01  0.460395D+01 -0.240305D+01  0.873677D+00  0.183452D+01
               316           317           318           319           320 
      1   0.157844D+03  0.854023D+01  0.298318D+02  0.186329D+02  0.109612D+02
      2  -0.973224D+02 -0.547545D+01 -0.211753D+02 -0.128457D+02 -0.702794D+01
      3  -0.605221D+02 -0.306477D+01 -0.865650D+01 -0.578718D+01 -0.393325D+01
      4   0.985140D+00  0.750574D+01 -0.121393D+01  0.182062D+02  0.541099D+01
      5   0.411698D+02  0.172355D+01  0.200834D+02  0.993921D+01  0.801136D+01
      6  -0.627479D+01  0.882012D+00 -0.228407D+01  0.174992D+01 -0.439792D+00
               321           322           323           324           325 
      1   0.626466D+01  0.422971D+02  0.426965D+01  0.115388D+02  0.175002D+02
      2  -0.520100D+01 -0.285319D+02 -0.182891D+01 -0.843659D+01  0.125608D+02
      3  -0.106366D+01 -0.137653D+02 -0.244074D+01 -0.310217D+01 -0.300611D+02
      4   0.386626D+01  0.335954D+01  0.277723D+01  0.318273D+00 -0.674591D+02
      5   0.481731D+01  0.151229D+02 -0.273516D+01  0.730223D+01 -0.149393D+02
      6   0.111002D+01 -0.983463D+00  0.202510D+01  0.639901D+00  0.109717D+02
               326           327           328           329           330 
      1  -0.491475D+01 -0.273440D+01  0.383722D+01 -0.844205D+01 -0.222592D+01
      2  -0.226818D+02 -0.261029D+01 -0.267963D+02  0.400154D+02  0.753710D+01
      3   0.275966D+02  0.534470D+01  0.229591D+02 -0.315733D+02 -0.531118D+01
      4   0.599773D+02  0.158509D+02  0.506593D+02 -0.644655D+02 -0.166269D+02
      5   0.142939D+02  0.992906D+01  0.140620D+02 -0.128226D+02 -0.824686D+01
      6  -0.120438D+02 -0.867594D+01 -0.146963D+02  0.156989D+02  0.110646D+02
               331           332           333           334           335 
      1   0.594633D+00 -0.251544D+00  0.415925D-02 -0.764072D+01 -0.155890D+02
      2  -0.951965D+01  0.558294D+01  0.285567D+01  0.111992D+02  0.206796D+02
      3   0.892502D+01 -0.533140D+01 -0.285983D+01 -0.355852D+01 -0.509057D+01
      4   0.157009D+02 -0.159272D+02 -0.625669D+01  0.443425D+01  0.157544D+02
      5   0.450814D+01 -0.666309D+01 -0.430977D+01 -0.985584D+00  0.251137D+01
      6  -0.209425D+01  0.849704D+01  0.410215D+01  0.427828D+01  0.632886D+01
               336           337           338           339           340 
      1  -0.376667D+01 -0.357986D+01 -0.839525D+02 -0.238136D+02 -0.276273D+00
      2   0.437278D+01  0.358898D+01  0.125053D+03  0.302472D+02  0.256951D+01
      3  -0.606108D+00 -0.911937D-02 -0.411005D+02 -0.643357D+01 -0.229324D+01
      4   0.331881D+01  0.674460D+01 -0.128466D+02 -0.360241D+01  0.215635D+00
      5   0.227567D+01  0.101385D+01 -0.586554D+01 -0.325819D+01  0.308958D+01
      6   0.339387D+01  0.277605D+01  0.467976D+02  0.223758D+02 -0.309174D+01
               341           342           343           344           345 
      1  -0.283240D+02 -0.951441D+01 -0.336682D+01 -0.599403D+01 -0.102665D+01
      2   0.416397D+02  0.118937D+02  0.120051D+02  0.174287D+02  0.323488D+01
      3  -0.133157D+02 -0.237932D+01 -0.863828D+01 -0.114346D+02 -0.220823D+01
      4  -0.709240D+01 -0.148162D+01  0.142500D+02  0.250465D+02  0.590033D+01
      5  -0.108651D+01 -0.275112D+00  0.220222D+01  0.469486D+01  0.369348D+01
      6   0.166454D+02  0.104288D+02  0.458821D+01  0.399492D+01  0.278979D+01
               346           347           348           349           350 
      1  -0.139539D+02 -0.563238D+02 -0.150455D+02 -0.339204D+01 -0.199356D+02
      2   0.270972D+02  0.966569D+02  0.222627D+02  0.566936D+01  0.304734D+02
      3  -0.131433D+02 -0.403331D+02 -0.721717D+01 -0.227733D+01 -0.105378D+02
      4   0.223954D+02  0.512529D+02  0.140493D+02  0.671427D+01  0.152196D+02
      5   0.603871D+01  0.133247D+02  0.629173D+01  0.191727D+01  0.485328D+01
      6   0.926672D+01  0.279950D+02  0.165376D+02  0.427058D+01  0.140701D+02
               351           352           353           354           355 
      1  -0.828211D+01  0.495947D+02  0.183431D+02 -0.965450D+00  0.960492D+01
      2   0.108163D+02 -0.133888D+02  0.113257D+01  0.641680D+00  0.531429D+01
      3  -0.253421D+01 -0.362059D+02 -0.194757D+02  0.323770D+00 -0.149192D+02
      4   0.541521D+01  0.710165D+02  0.407123D+02 -0.181077D+01  0.311198D+02
      5   0.294985D+01 -0.306249D+01 -0.950846D+00  0.747837D+01  0.262800D+01
      6   0.834771D+01 -0.578326D+01 -0.356863D+01  0.523746D+01  0.108321D+01
               356           357           358           359           360 
      1   0.575793D+01  0.905301D+00 -0.311199D+01 -0.858401D+00  0.206050D+01
      2   0.707589D+01 -0.183169D+00  0.446903D+01  0.223938D+01 -0.828344D+00
      3  -0.128338D+02 -0.722132D+00 -0.135704D+01 -0.138098D+01 -0.123215D+01
      4   0.255811D+02  0.236271D+01  0.148970D+01  0.437938D+01  0.281071D+01
      5   0.149291D+01  0.241883D+01  0.248763D+01  0.197388D+01  0.130997D+01
      6  -0.121674D+01  0.187377D+01  0.699468D+00  0.141746D+01  0.102917D+01
               361           362           363           364           365 
      1   0.128192D+03 -0.156920D+02 -0.249879D+02 -0.103286D+02  0.201595D+02
      2  -0.771302D+02  0.934934D+01  0.197097D+02  0.611912D+01 -0.131931D+02
      3  -0.510615D+02  0.634264D+01  0.527819D+01  0.420949D+01 -0.696641D+01
      4  -0.129223D+02  0.324898D+02  0.593190D+01  0.657437D+02 -0.211248D+02
      5  -0.492466D+02  0.873319D+01  0.421185D+02  0.572061D+01 -0.248956D+02
      6   0.172266D+01 -0.884486D+01 -0.106467D+01 -0.225727D+02  0.665462D+01
               366           367           368           369           370 
      1  -0.432621D+00  0.123393D+01  0.988201D+00  0.370742D+01 -0.350521D+01
      2  -0.564753D+01  0.215105D+02 -0.519408D+01 -0.454891D+02  0.187550D+01
      3   0.608015D+01 -0.227444D+02  0.420588D+01  0.417817D+02  0.162971D+01
      4  -0.258595D+02  0.980395D+01 -0.129921D+02 -0.275729D+01 -0.165926D+01
      5  -0.126143D+02  0.621023D+02 -0.125582D+02 -0.516490D+02  0.402323D+01
      6   0.235201D+02 -0.133741D+01  0.169251D+02 -0.397093D+01  0.679543D+00
               371           372           373           374           375 
      1  -0.958676D+00  0.110673D+01 -0.369524D+01 -0.595873D+01 -0.110229D+01
      2  -0.159643D+01 -0.100857D+01  0.210366D+01 -0.291289D+01 -0.337039D+01
      3   0.255511D+01 -0.981620D-01  0.159158D+01  0.887161D+01  0.447268D+01
      4  -0.112990D+01  0.105097D+01 -0.550949D+00 -0.423550D+01 -0.451279D+00
      5   0.315114D+01 -0.980278D+00  0.297896D+01  0.345270D+01 -0.271908D+01
      6  -0.813669D+00 -0.566361D-01 -0.366462D-01  0.652903D+00  0.151246D+01
               376           377           378 
      1  -0.155237D+01 -0.530318D+00 -0.352936D+01
      2   0.161173D+01 -0.214001D+01 -0.191256D+01
      3  -0.593602D-01  0.267033D+01  0.544192D+01
      4   0.992513D+00 -0.491506D+00 -0.121628D+01
      5   0.213980D+01  0.996006D+00 -0.454328D+00
      6  -0.910461D+00  0.163409D+01  0.145751D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.671122D+00      0.170582D+01      0.569001D+01
   x         -0.557213D+00     -0.141629D+01     -0.472425D+01
   y          0.219256D+00      0.557294D+00      0.185893D+01
   z          0.303060D+00      0.770301D+00      0.256945D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.334585D+03      0.495804D+02      0.551657D+02
   aniso      0.203899D+03      0.302147D+02      0.336184D+02
   xx         0.408147D+03      0.604811D+02      0.672943D+02
   yx        -0.187080D+02     -0.277224D+01     -0.308454D+01
   yy         0.373843D+03      0.553977D+02      0.616383D+02
   zx         0.412699D+02      0.611557D+01      0.680449D+01
   zy         0.443260D+02      0.656844D+01      0.730837D+01
   zz         0.221767D+03      0.328624D+02      0.365644D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.364556D+03      0.540216D+02      0.601072D+02
   aniso      0.221092D+03      0.327625D+02      0.364532D+02
   xx         0.444506D+03      0.658691D+02      0.732892D+02
   yx        -0.183212D+02     -0.271492D+01     -0.302075D+01
   yy         0.409006D+03      0.606085D+02      0.674361D+02
   zx         0.459861D+02      0.681444D+01      0.758209D+01
   zy         0.438384D+02      0.649618D+01      0.722797D+01
   zz         0.240155D+03      0.355873D+02      0.395962D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     1          2.79196355         -1.07561988          3.00987757
     6          3.05784515         -2.12078621          1.28108022
     6          5.45194560         -2.35788217          0.30595923
     1          7.02734984         -1.48296848          1.27275286
     6          5.86551080         -3.73053220         -1.92546961
     1          7.74848324         -3.87224434         -2.71019780
     6          3.87669022         -4.94926378         -3.05876068
     1          4.17624459         -6.09477732         -4.72815843
     6          1.41396040         -4.78932325         -2.05347930
     6         -0.58772633         -6.26479260         -3.08557277
     6          0.94911290         -3.23468306          0.08904140
     6         -1.61142676         -2.97757134          1.02531161
     6         -3.40825362         -4.77294159          0.19959592
     6         -2.86791259         -6.34477666         -1.92257656
     6         -2.40145093         -1.11972869          2.86239486
     6         -4.52302692         -1.72735784          4.39124992
     6         -6.16761156         -3.71814195          3.66677280
     6         -5.71980214         -5.06798089          1.52804964
     6         -1.22947064          1.31178496          3.27042409
     6         -1.59558337          2.51608215          5.62652975
     6         -3.46051330          1.60208278          7.32454918
     6         -4.99502516         -0.33897283          6.63735252
     6          0.14865252          2.70130888          1.35547254
     6         -0.15283189          4.69992337          6.26939006
     6          1.47301235          5.75907498          4.59693573
     6          1.59578768          4.85025624          2.06739599
     6          3.04307702          6.12620211          0.22849615
     6          3.00462731          5.41167392         -2.26362180
     6          1.42300841          3.40876644         -2.97113203
     6          0.01814327          2.09614859         -1.23730961
     1         -0.21096727         -7.41452969         -4.73578272
     1         -4.33981436         -7.59839982         -2.59343647
     1         -7.82408809         -4.08134985          4.81174185
     1         -7.04715820         -6.48538651          0.88337884
     1         -3.72768538          2.57382651          9.10510582
     1         -6.56224655         -0.90835616          7.82346483
     1         -0.38419493          5.49018032          8.14283608
     1          2.60437713          7.38289880          5.11657778
     1          4.17580845          7.72849596          0.81014142
     1          4.11667413          6.39461279         -3.66514844
    35          1.23001063          2.48674964         -6.45484439
     1         -1.19958258          0.59600273         -1.87213581

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.671122D+00      0.170582D+01      0.569001D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.671122D+00      0.170582D+01      0.569001D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.334585D+03      0.495804D+02      0.551657D+02
   aniso      0.203899D+03      0.302147D+02      0.336184D+02
   xx         0.324536D+03      0.480913D+02      0.535088D+02
   yx         0.655757D+02      0.971731D+01      0.108120D+02
   yy         0.320459D+03      0.474871D+02      0.528366D+02
   zx        -0.751796D+02     -0.111405D+02     -0.123954D+02
   zy         0.588522D+02      0.872100D+01      0.970342D+01
   zz         0.358761D+03      0.531629D+02      0.591517D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.364556D+03      0.540216D+02      0.601072D+02
   aniso      0.221092D+03      0.327625D+02      0.364532D+02
   xx         0.352503D+03      0.522355D+02      0.581198D+02
   yx         0.700224D+02      0.103762D+02      0.115451D+02
   yy         0.353727D+03      0.524170D+02      0.583218D+02
   zx        -0.842903D+02     -0.124905D+02     -0.138976D+02
   zy         0.623930D+02      0.924568D+01      0.102872D+02
   zz         0.387438D+03      0.574124D+02      0.638799D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F15-15\Freq\RwB97XD\Gen\C26H15Br1\PIERPA\24-Jul-2021\0\\#
 P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA 
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 91576,-0.177518\C,-3.356973,-0.534957,-0.639268\C,-3.69251,-1.798848,-
 1.190783\C,-2.761886,-2.786096,-1.271742\C,-1.648813,1.086948,0.01454\
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 85,0.487361,-0.549941\C,-0.287114,1.5734,-0.077792\C,-2.332234,3.37297
 4,0.618459\C,-1.040913,3.763875,0.750029\C,0.014713,2.893138,0.356628\
 C,1.350986,3.343894,0.332494\C,2.364583,2.558938,-0.15639\C,2.037889,1
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 695,1.090549\H,1.568632,4.342013,0.692153\H,3.386563,2.908506,-0.17264
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 n=ES64L-G16RevA.03\State=1-A\HF=-3574.4955792\RMSD=5.195e-09\RMSF=8.14
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 0.0782672,-0.027437,0.0210001,-0.0612083,0.0053351,0.1023601,-0.018655
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 708084,0.0068079,-0.016894,0.041907,-0.1016433,0.0083087,0.0822951,-0.
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 -0.0475152,-0.1511033,0.0030633,-0.0258461,0.1214645,0.039533,0.024160
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 .0831949,-0.0771072,-0.1817595,0.1216517,0.1187979,0.1351764,-0.114879
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 WHEN IT COMES TO CASH FLOW, IT SEEMS LIKE THE TIDE IS ALWAYS GOING OUT.
 Job cpu time:       3 days 21 hours 13 minutes 27.8 seconds.
 Elapsed time:       0 days  5 hours 50 minutes  1.6 seconds.
 File lengths (MBytes):  RWF=   1862 Int=      0 D2E=      0 Chk=     60 Scr=      2
 Normal termination of Gaussian 16 at Sat Jul 24 22:51:28 2021.
